SCHEMBL873201

SCHEMBL873201

Cc1n[nH]c(-c2ccccc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.53
CHEK1 O14757 1/20 0.53
KDM4E B2RXH2 5/20 0.47
HPGD P15428 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
GRM5 P41594 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALPL P05186 1/20 0.42
PLA2G10 O15496 1/20 0.41
DYRK1A Q13627 2/20 0.41

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
SCHEMBL2375096 0.81 AKT2 (0.52) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL1548731 0.81 KDM4E (0.60) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL11362250 0.81 KDM4E (0.60) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL5865715 0.81 AKT2 (0.68) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL4714215 0.79 KDM4E (0.63) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL3949727 0.79 KDM4E (0.44) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL19288778 0.79 KDM4E (0.44) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL2876858 0.79 AKT2 (0.50) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL8684331 0.79 MAPK1 (0.63) AKT2CHEK1KDM4EHPGDALDH1A1
SCHEMBL16225421 0.79 AKT2 (0.50) AKT2CHEK1KDM4EHPGDALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP claimed
CN-103154044-A Process for producing polydienes BRIDGESTONE CORP 2013-06-12 CN claimed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO claimed
WO-2017106568-A1 COMBINATION OF A JAK INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 US disclosed
EP-2658887-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM Bridgestone Corporation (JP) 2013-11-06 EP disclosed
EP-2658886-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM Bridgestone Corporation (JP) 2013-11-06 EP disclosed
EP-2619233-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2013-07-31 EP disclosed
CN-103154044-A Process for producing polydienes BRIDGESTONE CORP 2013-06-12 CN disclosed
WO-2012092547-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2012-07-05 WO disclosed
WO-2012092551-A1 BULK POLYMERIZATION OF CONJUGATED DIENES USING A NICKEL-BASED CATALYST SYSTEM BRIDGESTONE CORPORATION (JP) 2012-07-05 WO disclosed
WO-2012040026-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2012-03-29 WO disclosed
US-4072498-A HERBICIDES THE UPJOHN COMPANY (US) 1978-02-07 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 (1 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-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 AKT2 3100/4885CHEK1 265/4885KDM4E 249/4885

“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.