SCHEMBL6421780

SCHEMBL6421780

CC1CCN(C(=O)CC#N)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
NPC1 O15118 4/20 0.58
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
HPGD P15428 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL30497381 0.89 ALDH1A1 (0.49) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL15014631 0.89 ALDH1A1 (0.49) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL12683453 0.89 ALDH1A1 (0.49) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL21757052 0.83 JAK1 (0.43) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL13741354 0.82 GPR119 (0.43) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL12513691 0.81 ALDH1A1 (0.43) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL12424943 0.81 ALDH1A1 (0.43) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL13747823 0.81 IRAK4 (0.42) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL21756990 0.81 JAK1 (0.42) ALDH1A1NPC1KMT2AMEN1MAPT
SCHEMBL14417884 0.81 KDM4E (0.54) ALDH1A1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025009922-A1 NOVEL COMPOUND SENSITIVE TO NITROGEN MONOXIDE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 옴니아메드 2025-01-09 WO disclosed
US-20240067643-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS, INC. 2024-02-29 US disclosed
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
US-11802274-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds CODEXIS, INC. (US) 2023-10-31 US disclosed
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 WO disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
EP-4249055-A2 TOFACITINIB ORAL SUSTAINED RELEASE DOSAGE FORMS Pfizer Inc. (US) 2023-09-27 EP disclosed
US-20230271982-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2023-08-31 US disclosed
US-11739086-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same ACLARIS THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
US-20230256106-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-08-17 US disclosed
WO-2012100948-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING TASOCITINIB RATIOPHARM GMBH (DE) 2012-08-02 WO disclosed
WO-2011034907-A2 PROTEIN KINASE CONJUGATES AND INHIBITORS AVILA THERAPEUTICS, INC. (US) 2011-03-24 WO disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
EP-2270014-A1 Azepine inhibitors of janus kinases Incyte Corporation (US) 2011-01-05 EP disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20050053999-A1 Method for predicting G-protein coupled receptor-ligand interactions GOUGH DAVID A (US) 2005-03-10 US 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 (8 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-20230256106-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF TIE1, TEK, KDR ALDH1A1 2673/4885NPC1 90/4885KMT2A 3474/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 ALDH1A1 3857/4885NPC1 4245/4885KMT2A 861/4885
US-20240067643-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME JAK3, JAK1, JAK2 ALDH1A1 1866/4885NPC1 4156/4885KMT2A 1412/4885
US-11802274-B2 Engineered imine reductases and methods for the reductive amination of ketone and amine compounds AKR1C4, AKR7A2, AKR1C2 ALDH1A1 162/4885NPC1 3962/4885KMT2A 1015/4885
US-20230271982-A1 CODRUG THAT DISINTEGRATES IN INTESTINE, PREPARATION THEREFOR, AND USE THEREOF VIP, SI, PDCD5 ALDH1A1 1526/4885NPC1 2566/4885KMT2A 4073/4885
US-11739086-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same JAK3, JAK1, JAK2 ALDH1A1 1866/4885NPC1 4156/4885KMT2A 1412/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 ALDH1A1 3705/4885NPC1 3951/4885KMT2A 521/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 ALDH1A1 3705/4885NPC1 3951/4885KMT2A 521/4885

“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.