SCHEMBL1645604

SCHEMBL1645604

COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.64
POLB P06746 2/20 0.62
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.57
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL8541971 0.89 APEX1 (0.75) APEX1POLBGPBAR1TSHRHSD17B10
SCHEMBL8544209 0.89 APEX1 (0.75) APEX1POLBGPBAR1TSHRHSD17B10
SCHEMBL1001249 0.88 APEX1 (0.73) APEX1POLBKMT2AGPBAR1TSHR
SCHEMBL4551788 0.86 POLB (0.60) APEX1POLBKMT2AMEN1KDM4E
SCHEMBL8540145 0.86 APEX1 (0.70) APEX1L3MBTL1POLBKMT2AMEN1
SCHEMBL8540322 0.86 POLB (0.73) APEX1POLBKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL6196657 0.85 POLB (0.61) APEX1POLBKMT2AMEN1KDM4E
SCHEMBL28653785 0.84 HSD17B10 (0.77) L3MBTL1POLBKMT2AKDM4ETSHR
SCHEMBL1647757 0.82 POLB (0.88) L3MBTL1POLBKMT2AKDM4ETSHR
SCHEMBL396705 0.82 KMT2A (0.77) L3MBTL1POLBKMT2AMEN1KDM4E

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-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
EP-0994115-B1 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof PFIZER LTD (GB) 2005-03-02 EP disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2003-04-10 US disclosed
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof DUNN PETER JAMES (GB) 2001-07-26 US disclosed
US-6207829-B1 CYCLIZATION OF A CORRESPONDING PYRAZOLE COMPOUND PFIZER INC. 2001-03-27 US disclosed
EP-0994115-A2 Process for preparation of pyrazolo-(4,3-d)pyrimidin-7-ones and intermediates thereof Pfizer Limited (GB) 2000-04-19 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 (5 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 APEX1 4585/4885L3MBTL1 3063/4885POLB 612/4885
US-20010009962-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B APEX1 1440/4885L3MBTL1 4245/4885POLB 66/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 APEX1 4585/4885L3MBTL1 3063/4885POLB 612/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 APEX1 4403/4885L3MBTL1 2624/4885POLB 672/4885
US-20030069422-A1 Process for preparation of pyrazolo[4,3-d]pyrimidin-7-ones and intermediates thereof UGT2B7, CYP3A7, TOP2B APEX1 1440/4885L3MBTL1 4245/4885POLB 66/4885

“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.