SCHEMBL1184433

SCHEMBL1184433

COC(=O)C1CC(=O)Nc2ncccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 4/20 0.37
TSHR P16473 2/20 0.37
TNKS2 Q9H2K2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 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
SCHEMBL1000380 0.70 ACHE (0.51) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL29476747 0.70 ACHE (0.51) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL12217647 0.70 BRD4 (0.43) KDM4ETSHRALDH1A1GAAMAPT
Benzene SCHEMBL27893007 0.70 TSHR (0.43) SMN1; SMN2CYP1A2KDM4ETSHRALDH1A1
SCHEMBL2254488 0.69 PLK1 (0.37) SMN1; SMN2KDM4ETSHRALDH1A1GAA
SCHEMBL1184778 0.69 CES1 (0.40) BRD4CREBBP
Fluorene SCHEMBL23673419 0.68 DDB1 (0.40) CYP1A2KDM4ETSHRALDH1A1MAPT
SCHEMBL7481174 0.68 CYP1A2 (0.41) SMN1; SMN2CYP1A2KDM4ETNKS2ALDH1A1
SCHEMBL3666423 0.68 F12 (0.44) KDM4EALDH1A1HSD17B10L3MBTL1
SCHEMBL10921258 0.68 KDM4E (0.36) SMN1; SMN2CYP1A2KDM4ETSHRALDH1A1

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
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-7935694-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
EP-1799684-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-27 EP disclosed
US-20060100194-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2006-05-11 US disclosed
WO-2006041773-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-04-20 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-20060100194-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 CCNB2 1386/4885CDK1 101/4885CCNB1 1062/4885
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 CCNB2 1386/4885CDK1 101/4885CCNB1 1062/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 CCNB2 1386/4885CDK1 101/4885CCNB1 1062/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 CCNB2 1386/4885CDK1 101/4885CCNB1 1062/4885

“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.