SCHEMBL8299888

SCHEMBL8299888

O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1nccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK33 Q9BYT3 3/20 0.61
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.43
▸ AURKA O14965 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SNCA P37840 1/20 0.40
▸ HPSE Q9Y251 2/20 0.40

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
SCHEMBL8299918 0.82 FOXO1 (0.45) STK33SIRT1AURKACDK1CCNB1
SCHEMBL1646052 0.81 CDK1 (0.61) STK33AURKACDK1CCNB1CDK2
SCHEMBL12252623 0.80 CDK1 (0.47) STK33CASP3SENP8SENP7SENP6
SCHEMBL1646700 0.79 AURKA (0.59) AURKACDK1CCNB1CDK2AURKB
SCHEMBL12773405 0.78 NPC1 (0.59) SIRT1AURKACDK1CCNB1CDK2
SCHEMBL1646505 0.78 MAPT (0.47) CASP3SENP8SENP7SENP6SIRT1
SCHEMBL12303897 0.78 MAPT (0.47) AURKACDK1CCNB1CDK2AURKB
SCHEMBL8305732 0.78 HPSE (0.50) STK33AURKACDK1CCNB1CDK2
SCHEMBL8302943 0.78 PDE10A (0.51) SIRT1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL1646494 0.78 MAPT (0.60) CASP3SENP8SENP7SENP6SIRT1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 — — WO disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 — — US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 — — US disclosed
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
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-01-09 — — US disclosed
US-8435970-B2 Title compound is drug AT-9283, inhibitor of Cyclin Dependent Kinases (CDK kinases), Aurora kinases and Glycogen Synthase Kinase-3 (GSK3) ASTEX THERAPEUTICS LIMITED (GB) 2013-05-07 — — US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 — — US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 — — 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-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 — — US disclosed
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-30 — — US disclosed
EP-2305250-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2011-04-06 — — EP disclosed
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA ASTEX THERAPEUTICS LIMITED (GB) 2010-03-04 — — US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 — — US disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 — — 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-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 (6 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 STK33 236/4885CASP3 1530/4885SENP8 3737/4885
US-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET STK33 291/4885CASP3 3380/4885SENP8 3799/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 STK33 236/4885CASP3 1530/4885SENP8 3737/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 STK33 543/4885CASP3 1521/4885SENP8 3815/4885
US-20100055094-A1 PHARMACEUTICAL COMBINATIONS OF 1-CYCLOPROPYL-3- [3-(5-M0RPHOOLIN-4-YL-METHYL-1H-BENZOIMIDAZOL-2-YL)- LH-1-PYRAZOL-4-YL]- UREA LDHA, LDHB, PDK4 STK33 666/4885CASP3 1641/4885SENP8 3702/4885
US-20110159111-A1 PHARMACEUTICAL COMBINATIONS SLC10A1, CYP11B2, SDHB STK33 4270/4885CASP3 1997/4885SENP8 3054/4885

“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.

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