SCHEMBL8939416

SCHEMBL8939416

CC(C)N1CCN2C(=O)CCC2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
KDM5A P29375 1/20 0.34
SOS1 Q07889 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL21739118 1.00 HRH3 (0.39) HRH3KDM5ASOS1PDCD1LG2CD274
SCHEMBL21740359 1.00 HRH3 (0.39) HRH3KDM5ASOS1PDCD1LG2CD274
SCHEMBL21739333 0.90 HRH3 (0.38) HRH3KDM5ANPC1RAB9AKMT2A
SCHEMBL21739332 0.90 HRH3 (0.38) HRH3KDM5ANPC1RAB9AKMT2A
SCHEMBL24711722 0.90 HRH3 (0.38) HRH3KDM5ANPC1RAB9AKMT2A
SCHEMBL10168539 0.83 KDM5A (0.45) HRH3KDM5AMAPK1
SCHEMBL13934306 0.83 KDM5A (0.45) HRH3KDM5AMAPK1
SCHEMBL10168557 0.81 KDM5A (0.42) HRH3KDM5A
SCHEMBL23594566 0.81 KDM5A (0.42) HRH3KDM5A
SCHEMBL10169190 0.81 KDM5A (0.42) HRH3KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208941-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS TYRA BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240208941-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS TYRA BIOSCIENCES, INC. 2024-06-27 US disclosed
US-12018015-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2024-06-25 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
US-20230031213-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 ALIGOS THERAPEUTICS, INC. 2023-02-02 US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2016-12-08 US disclosed
US-8188281-B2 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
EP-1881983-B1 PYRROLOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASE VERTEX PHARMA (US) 2012-01-11 EP disclosed
US-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-07-09 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7507826-B2 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-24 US disclosed
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-09-06 US disclosed
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-06-14 US disclosed
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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 (11 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-20090176763-A1 Azaindoles useful as inhibitors of JAK and other protein kinases JAK3, JAK2, JAK1 HRH3 1876/4885KDM5A 658/4885SOS1 1149/4885
US-20240208941-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS FGFR1, FGFR2, FGFR3 HRH3 1866/4885KDM5A 2368/4885SOS1 1384/4885
US-12018015-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 HRH3 897/4885KDM5A 2234/4885SOS1 1801/4885
US-20070043063-A1 Such as 3-(2-Methanesulfonyl-pyrimidin-4-yl)-5-pyridin-3-yl-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine; heart disease, diabetes, Alzheimer's disease, immunodeficiency disorders, inflammatory diseases, hypertension, allergic diseases, autoimmune diseases, destructive bone disorders LCK, PDXK, CHUK HRH3 605/4885KDM5A 395/4885SOS1 2024/4885
US-20160355488-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES PMP22, MYT1, IKZF3 HRH3 391/4885KDM5A 1055/4885SOS1 4384/4885
US-20070135466-A1 Pyrrolopyridines useful as inhibitors of protein kinase JAK2, JAK1, JAK3 HRH3 3011/4885KDM5A 1289/4885SOS1 1391/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 HRH3 2481/4885KDM5A 290/4885SOS1 541/4885
US-20070207995-A1 Deazapurines useful as inhibitors of Janus kinases JAK1, JAK3, JAK2 HRH3 2582/4885KDM5A 177/4885SOS1 1278/4885
US-20230031213-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 CD274, PDCD1LG2, PDCD1 HRH3 897/4885KDM5A 2234/4885SOS1 1801/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 HRH3 2462/4885KDM5A 368/4885SOS1 1492/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR HRH3 3422/4885KDM5A 1666/4885SOS1 2217/4885

“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.