SCHEMBL9984690

SCHEMBL9984690

COC(=O)c1ccc2c(c1)[nH]c1c(C#N)c[nH]c(=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.50
KIF11 P52732 2/20 0.47
DYRK1A Q13627 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
NPC1 O15118 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 2/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.40
PDGFRB P09619 1/20 0.39

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
SCHEMBL9983769 0.82 PARP1 (0.53) PARP1KIF11DYRK1ACSNK2A1ALDH1A1
SCHEMBL9983372 0.78 DYRK1A (0.50) PARP1KIF11DYRK1ACSNK2A1ALDH1A1
SCHEMBL3506412 0.77 CHEK1 (0.52) PARP1DYRK1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5534322 0.75 KIF11 (0.61) PARP1KIF11DYRK1ACSNK2A1ALDH1A1
SCHEMBL15994825 0.74 KIF11 (0.52) PARP1KIF11DYRK1ACSNK2A1ALDH1A1
SCHEMBL9984642 0.74 KIF11 (0.58) PARP1KIF11DYRK1ACSNK2A1ALDH1A1
SCHEMBL6599204 0.74 GPR84 (0.55) ALDH1A1KDM4EHSD17B10RAB9ANPC1
SCHEMBL29708168 0.71 KIF11 (0.84) PARP1KIF11DYRK1ACSNK2A1ALDH1A1
SCHEMBL4725998 0.71 KIF11 (0.84) PARP1KIF11DYRK1ACSNK2A1ALDH1A1
SCHEMBL1981825 0.70 POLB (0.48) ALDH1A1KDM4EPOLBHPGDGAA

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 PARP1 500/4885KIF11 3655/4885DYRK1A 109/4885

“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.