SCHEMBL15930671

SCHEMBL15930671

O=C(c1cncc(-c2ccccc2)c1)c1cccc(N2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.50
PRKCQ Q04759 2/20 0.50
PRKCD Q05655 2/20 0.50
PIM2 Q9P1W9 3/20 0.49
CCNC P24863 5/20 0.47
CDK8 P49336 5/20 0.47
HSD17B14 Q9BPX1 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
CHEK1 O14757 1/20 0.42
CDK7 P50613 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8963649 0.96 PRKCA (0.53) PRKCAPRKCQPRKCDPIM2CCNC
SCHEMBL8965034 0.88 PRKCA (0.52) PRKCAPRKCQPRKCDPIM2CCNC
SCHEMBL8963807 0.88 PRKCA (0.56) PRKCAPRKCQPRKCDPIM2HSD17B14
SCHEMBL8965029 0.87 PRKCA (0.56) PRKCAPRKCQPRKCDPIM2CCNC
SCHEMBL8965088 0.87 PRKCA (0.51) PRKCAPRKCQPRKCDPIM2HSD17B14
SCHEMBL8963884 0.87 PRKCA (0.51) PRKCAPRKCQPRKCDPIM2CCNC
SCHEMBL8965174 0.86 PRKCA (0.50) PRKCAPRKCQPRKCDPIM2CCNC
SCHEMBL8965027 0.86 PRKCA (0.55) PRKCAPRKCQPRKCDPIM2HSD17B14
SCHEMBL8965227 0.84 CCNC (0.49) PRKCAPRKCQPRKCDPIM2CCNC
SCHEMBL8965379 0.84 PRKCA (0.50) PRKCAPRKCQPRKCDPIM2HSD17B14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 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 (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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885PRKCQ 38/4885PRKCD 120/4885

“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.