SCHEMBL481196

SCHEMBL481196

CN(C)C=CC(=O)c1cccc(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.67
▸ ALDH1A1 P00352 10/20 0.67
▸ HTT P42858 5/20 0.67
▸ HPGD P15428 3/20 0.67
▸ GAA P10253 2/20 0.67
▸ LMNA P02545 5/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ RECQL P46063 2/20 0.65
▸ KMT2A Q03164 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALPG P10696 1/20 0.61
▸ ATM Q13315 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ TLR9 Q9NR96 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51

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
SCHEMBL30227692 1.00 MAPT (0.67) MAPTALDH1A1HTTHPGDGAA
SCHEMBL6981453 1.00 MAPT (0.67) MAPTALDH1A1HTTHPGDGAA
SCHEMBL14811915 1.00 MAPT (0.67) MAPTALDH1A1HTTHPGDGAA
SCHEMBL5946453 0.88 MAPT (0.77) MAPTALDH1A1HTTHPGDGAA
SCHEMBL4794028 0.82 RAB9A (0.68) MAPTALDH1A1HTTHPGDGAA
SCHEMBL4794031 0.82 RAB9A (0.68) MAPTALDH1A1HTTHPGDGAA
SCHEMBL5800440 0.81 RECQL (0.71) MAPTALDH1A1HTTHPGDGAA
SCHEMBL9728821 0.81 MAPT (0.69) MAPTALDH1A1HTTHPGDGAA
SCHEMBL2945499 0.81 MAPT (0.69) MAPTALDH1A1HTTHPGDGAA
SCHEMBL22449502 0.81 RECQL (0.71) MAPTALDH1A1HTTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884047-B Intermediates for the synthesis of aryl or heteroaryl substituted 5-hydroxy-1, 7-naphthyridine compounds and methods for their preparation 沈阳三生制药有限责任公司 2022-03-08 — — CN disclosed
EP-3287456-B1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO LTD (CN) 2020-08-26 — — EP disclosed
EP-3292110-B1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME (NL) 2019-08-21 — — EP disclosed
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 — — US disclosed
US-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2018-06-21 — — US disclosed
US-9994566-B2 Compound of 5-hydroxyl-1,7-naphthyridine substituted by aryl or heteroaryl, preparation method thereof and pharmaceutical use thereof SHENYANG SUNSHINE PHARMACEUTICAL CO. LTD. (CN) 2018-06-12 — — US disclosed
US-20180118738-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF SHENYANG SUNSHINE PHARMACEUTICAL CO., LTD. (CN) 2018-05-03 — — US disclosed
EP-3292110-A1 N-PIPERIDIN-4-YL DERIVATIVES Merck Sharp & Dohme B.V. (NL) 2018-03-14 — — EP disclosed
EP-3287456-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Shenyang Sunshine Pharmaceutical Co., Ltd. (CN) 2018-02-28 — — EP disclosed
EP-3092225-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS Merck Patent GmbH (DE) 2016-11-16 — — EP disclosed
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 — — EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 — — US disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 — — US disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 — — EP disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 — — US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 — — US disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 — — US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 — — US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 — — EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 — — 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 (5 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-20180169094-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 MAPT 2673/4885ALDH1A1 1540/4885HTT 4553/4885
US-20180118738-A1 COMPOUND OF 5-HYDROXYL-1,7-NAPHTHYRIDINE SUBSTITUTED BY ARYL OR HETEROARYL, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF HIF1AN, EGLN3, EGLN2 MAPT 4811/4885ALDH1A1 119/4885HTT 953/4885
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 MAPT 2907/4885ALDH1A1 1417/4885HTT 4519/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 MAPT 1155/4885ALDH1A1 316/4885HTT 1383/4885
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 MAPT 1009/4885ALDH1A1 422/4885HTT 1549/4885

“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.

Send feedback