SCHEMBL9984642

SCHEMBL9984642

COC(=O)c1ccc2c(c1)[nH]c1cc[nH]c(=O)c12

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.58
PARP1 P09874 3/20 0.58
CSNK2A1 P68400 1/20 0.52
RAB9A P51151 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
DYRK1A Q13627 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
CHEK1 O14757 2/20 0.45

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
SCHEMBL4725998 0.81 KIF11 (0.84) KIF11PARP1CSNK2A1RAB9AKMT2A
SCHEMBL29708168 0.81 KIF11 (0.84) KIF11PARP1CSNK2A1RAB9AKMT2A
SCHEMBL31451502 0.77 CDK4 (0.54) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL9983769 0.77 PARP1 (0.53) KIF11PARP1CSNK2A1RAB9AKMT2A
SCHEMBL13011513 0.76 KIF11 (0.66) KIF11PARP1CSNK2A1RAB9AKMT2A
SCHEMBL13011318 0.76 KIF11 (0.58) KIF11PARP1CSNK2A1RAB9AKMT2A
SCHEMBL31042188 0.76 PARP1 (0.69) KIF11PARP1CSNK2A1RAB9AKMT2A
SCHEMBL2173284 0.76 NPC1 (0.55) KIF11PARP1CSNK2A1RAB9AKMT2A
SCHEMBL1759086 0.76 LCK (0.55) KIF11PARP1CSNK2A1ALDH1A1KDM4E
SCHEMBL5534322 0.76 KIF11 (0.61) KIF11PARP1CSNK2A1RAB9AKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-B1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-01-13 EP disclosed
EP-2582668-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-04-24 EP disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 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 (1 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-20130096118-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, PRKACA, CILK1 KIF11 3655/4885PARP1 500/4885CSNK2A1 31/4885

“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.