SCHEMBL10134613

SCHEMBL10134613

N#Cc1ccc2[nH]c(=O)c3ccncc3c2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.69
PARP1 P09874 5/20 0.51
GSK3A P49840 2/20 0.50
GSK3B P49841 2/20 0.50
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 2/20 0.50
CSNK2A1 P68400 2/20 0.49
CSF1R P07333 4/20 0.48
KDM5A P29375 1/20 0.48
KDM5C P41229 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
FASN P49327 1/20 0.47
BRD4 O60885 1/20 0.43
AR P10275 1/20 0.43
CYP19A1 P11511 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL1928017 0.89 PARP1 (0.59) CHUKPARP1GSK3AGSK3BCDK5
SCHEMBL14253016 0.82 CHUK (1.00) CHUKGSK3AGSK3BCDK5CDK5R1
SCHEMBL30484416 0.80 BRD4 (0.60) CHUKPARP1GSK3BCDK5CDK5R1
SCHEMBL97395 0.80 BRD4 (0.60) CHUKPARP1GSK3BCDK5CDK5R1
SCHEMBL10134606 0.78 PARP1 (0.79) CHUKPARP1CSNK2A1KDM5AKDM5C
SCHEMBL11455694 0.75 FASN (0.57) PARP1GSK3AGSK3BCDK5CDK5R1
SCHEMBL10134605 0.74 PARP1 (0.79) CHUKPARP1CSNK2A1KDM5AKDM5C
SCHEMBL29484414 0.74 PARP1 (0.79) CHUKPARP1CSNK2A1KDM5AKDM5C
SCHEMBL606784 0.74 CHUK (0.68) CHUKGSK3AGSK3BCDK5CDK5R1
SCHEMBL29402283 0.74 CHUK (0.68) CHUKGSK3AGSK3BCDK5CDK5R1

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 CHUK 59/4885PARP1 690/4885GSK3A 402/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CHUK 59/4885PARP1 690/4885GSK3A 402/4885

“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.