SCHEMBL1341403

SCHEMBL1341403

COCNC(=O)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1341778 0.98 SMN1; SMN2 (0.55) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL1340685 0.94 SMN1; SMN2 (0.50) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL1342010 0.90
SCHEMBL6445858 0.81 NAAA (0.57) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL30832082 0.81 KMT2A (0.58) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL24116980 0.81 KMT2A (0.58) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL4257123 0.81 KDM4E (0.40) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL1674736 0.81 KMT2A (0.58) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A
SCHEMBL17592152 0.81 NAAA (0.57) NAAAEPHX1SMN1; SMN2HSD17B10HDAC8
SCHEMBL2535622 0.81 GNAI3 (0.57) NAAAEPHX1SMN1; SMN2HSD17B10KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2018-07-10 US claimed
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY MERCK PATENT GMBH (DE) 2017-05-18 US claimed
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2014-06-12 US claimed
US-6991890-B2 Negative photoresist composition involving non-crosslinking chemistry INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2006-01-31 US claimed
US-20050175928-A1 Negative photoresist composition involving non-crosslinking chemistry INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2005-08-11 US claimed
US-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2025-05-22 US disclosed
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2022-11-08 US disclosed
US-20200316068-A1 Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-10716788-B2 Methods for treating MS using pyrimidine and pyridine compounds with BTK inhibitory activity MERCK PATENT GMBH (DE) 2020-07-21 US disclosed
US-20200206224-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
CN-104603105-B It is used as the formamide or nitrogenous 5 circle heterocycles of sulfonamide substitutions of orphan nuclear receptor ROR gamma modulators 菲尼克斯药品股份公司 2017-09-08 CN disclosed
US-20170136018-A1 Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20050176792-A1 Ketone substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
US-20050175928-A1 Negative photoresist composition involving non-crosslinking chemistry INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2005-08-11 US disclosed
WO-2005070420-A1 1H-BENZIMIDAZOL-2-YL-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ITK INHIBITORS (INTERLEUKIN-2-INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
WO-2005058228-A2 COMT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition F. HOFFMANN-LA ROCHE AG (CH) 2005-06-23 US disclosed
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050176792-A1 Ketone substituted benzimidazole compounds ITK, BLK, BCKDK NAAA 3503/4885EPHX1 1454/4885SMN1; SMN2 4238/4885
US-20200316068-A1 Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, LCK, SYK NAAA 2004/4885EPHX1 1212/4885SMN1; SMN2 2635/4885
US-10016448-B2 Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK NAAA 3922/4885EPHX1 1576/4885SMN1; SMN2 4722/4885
US-10716788-B2 Methods for treating MS using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, LCK, SYK NAAA 2004/4885EPHX1 1212/4885SMN1; SMN2 2635/4885
US-20200206224-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK NAAA 2817/4885EPHX1 1287/4885SMN1; SMN2 4593/4885
US-20250161304-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK NAAA 2817/4885EPHX1 1287/4885SMN1; SMN2 4593/4885
US-20140162983-A1 Compositions and Methods for the Production of Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK NAAA 3922/4885EPHX1 1576/4885SMN1; SMN2 4722/4885
US-11491153-B2 Methods for treating cancer using pyrimidine and pyridine compounds with BTK inhibitory activity BTK, SYK, LCK NAAA 2817/4885EPHX1 1287/4885SMN1; SMN2 4593/4885
US-20170136048-A1 COMPOSITIONS AND METHODS FOR THE PRODUCTION OF PYRIMIDINE AND PYRIDINE COMPOUNDS WITH BTK INHIBITORY ACTIVITY BTK, SYK, LCK NAAA 3922/4885EPHX1 1576/4885SMN1; SMN2 4722/4885
US-20170136018-A1 Methods for Treating MS Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, LCK, SYK NAAA 2004/4885EPHX1 1212/4885SMN1; SMN2 2635/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 NAAA 2320/4885EPHX1 3518/4885SMN1; SMN2 2958/4885
US-20050137162-A1 New COMT inhibitors for the treatment of depression and impaired cognition COMT, MAOB, TPH1 NAAA 2762/4885EPHX1 118/4885SMN1; SMN2 1274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.