SCHEMBL8299684

SCHEMBL8299684

Cc1nc2cc(CNC(C)(C)C)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL24818525 0.80 MAPT (0.35) DHODHKDM4EALDH1A1HPGDGAA
SCHEMBL12213873 0.79 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL12109671 0.78 DRD4 (0.47) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL3265753 0.77 ALDH1A1 (0.44) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL12109658 0.76 MAPT (0.45) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL889019 0.76 GAA (0.43) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL889012 0.76 ALDH1A1 (0.43) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL889039 0.76 ALDH1A1 (0.43) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL889001 0.76 HSD17B10 (0.47) DHODHKDM4EALDH1A1HPGDGAA
SCHEMBL4337143 0.75 POLB (0.36) KDM4EALDH1A1HPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 US 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
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-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 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 (4 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 DHODH 2231/4885KDM4E 942/4885ALDH1A1 2449/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 DHODH 2231/4885KDM4E 942/4885ALDH1A1 2449/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 DHODH 2536/4885KDM4E 737/4885ALDH1A1 4170/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 DHODH 1227/4885KDM4E 828/4885ALDH1A1 1157/4885

“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.