SCHEMBL1185191

SCHEMBL1185191

O=C1CCC(=O)c2cccnc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CCNB2 O95067 4/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNB3 Q8WWL7 4/20 0.42
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
GSK3B P49841 2/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL29572479 0.84 CYP1A2 (0.50) CYP1A2SMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL2357532 0.84 CYP1A2 (0.50) CYP1A2SMN1; SMN2CCNB2CDK1CCNB1
SCHEMBL247150 0.78 CRBN (0.50) CYP1A2SMN1; SMN2CDK5GSK3BNPC1
SCHEMBL9348013 0.78 MAPT (0.47) CYP1A2SMN1; SMN2GAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL30515324 0.76 CRBN (0.49) CYP1A2SMN1; SMN2CDK5GSK3BNPC1
SCHEMBL5234386 0.75 CYP1A2 (0.45) CYP1A2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL29588246 0.73 CYP1A2 (0.50) CYP1A2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL1699110 0.73 CYP1A2 (0.50) CYP1A2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL378942 0.73 GSK3A (0.49) CYP1A2CCNB2CDK1CCNB1CCNB3
SCHEMBL14656917 0.72 TDP2 (0.56) CYP1A2SMN1; SMN2CCNB2CDK1CCNB1

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 CYP1A2 3883/4885SMN1; SMN2 2957/4885CCNB2 1386/4885
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 CYP1A2 3883/4885SMN1; SMN2 2957/4885CCNB2 1386/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 CYP1A2 3883/4885SMN1; SMN2 2957/4885CCNB2 1386/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 CYP1A2 3883/4885SMN1; SMN2 2957/4885CCNB2 1386/4885

“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.