SCHEMBL8965227

SCHEMBL8965227

COc1ccc(-c2cncc(C(=O)c3cccc(N4CCCNCC4)n3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.49
CDK8 P49336 2/20 0.49
PRKCA P17252 2/20 0.48
PRKCQ Q04759 2/20 0.48
PRKCD Q05655 2/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
TGFBR1 P36897 1/20 0.45
PIM2 Q9P1W9 4/20 0.45
PIM1 P11309 4/20 0.45
PIM3 Q86V86 3/20 0.45
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2B P41595 2/20 0.44
HTR3A P46098 2/20 0.44
HTR1D P28221 1/20 0.44
CNR1 P21554 1/20 0.43
ACVR1 Q04771 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.41
CYP1A2 P05177 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
SCHEMBL8965169 0.92 HTR1A (0.49) CCNCCDK8PRKCAPRKCQPRKCD
SCHEMBL8963884 0.90 PRKCA (0.51) CCNCCDK8PRKCAPRKCQPRKCD
SCHEMBL8965034 0.89 PRKCA (0.52) CCNCCDK8PRKCAPRKCQPRKCD
SCHEMBL8963649 0.89 PRKCA (0.53) CCNCCDK8PRKCAPRKCQPRKCD
SCHEMBL8965029 0.88 PRKCA (0.56) CCNCCDK8PRKCAPRKCQPRKCD
SCHEMBL8965174 0.85 PRKCA (0.50) CCNCCDK8PRKCAPRKCQPRKCD
SCHEMBL8963807 0.85 PRKCA (0.56) PRKCAPRKCQPRKCDCHRNB2CHRNA4
SCHEMBL15930671 0.84 PRKCA (0.50) CCNCCDK8PRKCAPRKCQPRKCD
SCHEMBL8965088 0.84 PRKCA (0.51) PRKCAPRKCQPRKCDCHRNB2CHRNA4
SCHEMBL13857170 0.84 PRKCQ (0.54) PRKCAPRKCQPRKCDCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CCNC 531/4885CDK8 168/4885PRKCA 25/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CCNC 531/4885CDK8 168/4885PRKCA 25/4885

“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.