SCHEMBL1646646

SCHEMBL1646646

CCOc1cc(N)c(N)cc1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
TDP1 Q9NUW8 2/20 0.54
GAA P10253 4/20 0.53
ALDH1A1 P00352 5/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 4/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 4/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.45
CREBBP Q92793 1/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL23459637 0.87 TDP1 (0.49) KDM4ETDP1GAAALDH1A1HTT
SCHEMBL7373656 0.87 GAA (0.72) KDM4ETDP1GAAALDH1A1TSHR
SCHEMBL22987086 0.87 TDP1 (0.49) KDM4ETDP1GAAALDH1A1HTT
SCHEMBL6384036 0.86 KDM4E (0.69) KDM4ETDP1GAAALDH1A1HTT
SCHEMBL1964219 0.86 ALDH1A1 (0.53) KDM4EGAAALDH1A1TSHRCYP3A4
SCHEMBL9721456 0.82 ALDH1A1 (0.52) KDM4ETDP1GAAALDH1A1HTT
SCHEMBL23460291 0.82 TDP1 (0.45) KDM4ETDP1GAAALDH1A1HTT
SCHEMBL9793663 0.82 MAPT (0.52) KDM4ETDP1GAAALDH1A1HTT
SCHEMBL11232189 0.82 TSHR (0.59) KDM4ETDP1GAAALDH1A1TSHR
SCHEMBL18655513 0.82 KDM4E (0.58) KDM4ETDP1GAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305250-B1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUTICS LTD (GB) 2014-03-26 EP disclosed
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US disclosed
EP-1648426-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2014-01-08 EP disclosed
US-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2011-09-15 US disclosed
US-7977477-B2 Benzimidazole derivatives and their use as protein kinase inhibitors ASTEX THERAPEUTICS, LIMITED (GB) 2011-07-12 US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 EP disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
EP-0196910-B1 Benzo[a]phenazine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-01-02 EP disclosed
US-4686292-A Benzo[α]phenazine antitumor agents TAISHO PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US disclosed
EP-0196910-A2 Benzo[a]phenazine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-10-08 EP 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 (3 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-20110224203-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 KDM4E 942/4885TDP1 1480/4885GAA 641/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 KDM4E 942/4885TDP1 1480/4885GAA 641/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 KDM4E 828/4885TDP1 1261/4885GAA 1133/4885

“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.