SCHEMBL10134618

SCHEMBL10134618

COC(=O)c1cc2[nH]c(=O)c3ccncc3c2cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.70
CSNK2A1 P68400 2/20 0.70
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 1/20 0.43
KDM5A P29375 3/20 0.43
KDM5B Q9UGL1 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK1A Q13627 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40

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
SCHEMBL629270 0.82 PARP1 (1.00) PARP1CSNK2A1ROCK2ROCK1KDM4E
SCHEMBL10134619 0.82 PARP1 (0.81) PARP1CSNK2A1ROCK2ROCK1KDM4E
SCHEMBL30704691 0.82 PARP1 (1.00) PARP1CSNK2A1ROCK2ROCK1KDM4E
SCHEMBL2691509 0.78 PARP1 (0.90) PARP1CSNK2A1ROCK2ROCK1KDM4E
SCHEMBL2688190 0.75 PARP1 (0.56) PARP1CSNK2A1MAPTKDM4EALDH1A1
SCHEMBL10136628 0.75 PARP1 (0.56) PARP1CSNK2A1MAPTKDM4EALDH1A1
SCHEMBL1721600 0.74 GRIN2D (0.55) PARP1MAPTKDM4EALDH1A1GLA
SCHEMBL10134624 0.73 CSNK2A2 (0.51) PARP1CSNK2A1KDM4EALDH1A1GLA
SCHEMBL11932254 0.72 PARP1 (0.59) PARP1CSNK2A1ROCK2ROCK1KDM5A
SCHEMBL22717634 0.71 DAO (0.57) PARP1CSNK2A1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
WO-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 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 (2 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 PARP1 690/4885CSNK2A1 680/4885ROCK2 277/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 PARP1 690/4885CSNK2A1 680/4885ROCK2 277/4885

“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.