SCHEMBL8265453

SCHEMBL8265453

Cc1nc2c([nH]1)CCCNC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HAVCR2 Q8TDQ0 1/20 0.40
CDC7 O00311 2/20 0.38
KDR P35968 1/20 0.35
OR51E2 Q9H255 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
ALOX12 P18054 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
UHRF1 Q96T88 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17269709 0.78 CDC7 (0.38) ALDH1A1CDC7KDROR51E2MAPKAPK2
SCHEMBL5555023 0.76 L3MBTL1 (0.51) ALDH1A1HAVCR2KDM4ENPC1MAPT
SCHEMBL9077277 0.76 L3MBTL1 (0.47) ALDH1A1HAVCR2KDM4EKMT2AL3MBTL1
SCHEMBL19154020 0.73 HAVCR2 (0.44) HAVCR2OR51E2UHRF1
SCHEMBL21987946 0.67 ALDH1A1 (0.41) ALDH1A1OR51E2GAAGFERALOX12
SCHEMBL12102097 0.64 PARP1 (0.42) ALDH1A1OR51E2KDM4EL3MBTL1CYP1A2
SCHEMBL15243630 0.64 CDC7 (0.55) ALDH1A1CDC7KDRMAPKAPK2GAA
SCHEMBL14942690 0.64 HAVCR2 (0.56) ALDH1A1HAVCR2KDM4EMAPTKMT2A
SCHEMBL19153081 0.63 PARP1 (0.38) ALDH1A1CDC7KDM4EMAPTHPGD
SCHEMBL171272 0.62 HAVCR2 (0.48) HAVCR2KDM4ENPC1CYP1A2HIF1A

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
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 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-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 ALDH1A1 2449/4885HAVCR2 1712/4885CDC7 46/4885
US-20140010892-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS CDK1, CCNI, CDK2 ALDH1A1 2449/4885HAVCR2 1712/4885CDC7 46/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 ALDH1A1 4170/4885HAVCR2 4468/4885CDC7 50/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 ALDH1A1 1157/4885HAVCR2 1726/4885CDC7 48/4885

“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.