SCHEMBL10136632

SCHEMBL10136632

COC(=O)c1cccc2c1[nH]c(=O)c1cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.50
CSNK2A1 P68400 1/20 0.50
PIM1 P11309 2/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
MAP2K1 Q02750 1/20 0.43
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PADI4 Q9UM07 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL2688190 0.95 PARP1 (0.56) PARP1CSNK2A1PIM1PIM3PIM2
SCHEMBL10136643 0.81 PARP1 (0.50) PARP1CSNK2A1PIM1PIM2KDM4E
SCHEMBL2690194 0.79 PARP1 (0.52) PARP1CSNK2A1PIM1PIM2KDM4E
SCHEMBL6624979 0.78 MAPK8 (0.45) PARP1CSNK2A1PIM1PIM3PIM2
SCHEMBL12768354 0.77 PIM1 (0.49) PARP1PIM1PIM3KDM4EALDH1A1
SCHEMBL2688789 0.77 KDM4E (0.49) PARP1CSNK2A1PIM1PIM2KDM4E
SCHEMBL11663235 0.77 PIM1 (0.49) PARP1PIM1PIM3KDM4EALDH1A1
SCHEMBL10136628 0.77 PARP1 (0.56) PARP1CSNK2A1PIM1PIM2KDM4E
SCHEMBL30052832 0.76 PIM1 (0.51) PIM1PIM3KDM4EALDH1A1GAA
SCHEMBL21801215 0.75 MAPK8 (0.53) PIM1PIM2KDM4EALDH1A1GAA

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
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
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 680/4885PIM1 1/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 PARP1 690/4885CSNK2A1 680/4885PIM1 1/4885

“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.