SCHEMBL8265452

SCHEMBL8265452

Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 7/20 0.53
GAA P10253 4/20 0.53
CASP3 P42574 2/20 0.53
ATM Q13315 1/20 0.53
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CASP1 P29466 2/20 0.51
HPGD P15428 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL17702674 0.90 GAA (0.64) SMN1; SMN2TSHRALDH1A1GAACASP3
SCHEMBL10766887 0.88 KDM4E (0.55) SMN1; SMN2TSHRALDH1A1GAAATM
SCHEMBL16534866 0.86 ALDH1A1 (0.53) TSHRALDH1A1GAAATMKDM4E
SCHEMBL16134501 0.82 GAA (0.50) SMN1; SMN2TSHRALDH1A1GAAATM
SCHEMBL4318643 0.76 HDAC6 (0.46) SMN1; SMN2ALDH1A1GAAKDM4EHSD17B10
SCHEMBL20766169 0.75 ALDH1A1 (0.53) SMN1; SMN2TSHRALDH1A1GAAKDM4E
SCHEMBL16134728 0.74 ALDH1A1 (0.59) SMN1; SMN2TSHRALDH1A1GAACASP3
SCHEMBL8072391 0.74 ALDH1A1 (0.61) SMN1; SMN2TSHRALDH1A1GAACASP3
SCHEMBL8501874 0.74 NPBWR1 (0.47) ALDH1A1HPGDMEN1ALOX12HTT
SCHEMBL8413824 0.74 KDM4E (0.74) TSHRALDH1A1GAAATMKDM4E

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 13 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-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-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
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO 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 SMN1; SMN2 3663/4885TSHR 4541/4885ALDH1A1 2449/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 SMN1; SMN2 3663/4885TSHR 4541/4885ALDH1A1 2449/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 SMN1; SMN2 3021/4885TSHR 2375/4885ALDH1A1 4170/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 SMN1; SMN2 4105/4885TSHR 4588/4885ALDH1A1 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.