SCHEMBL8963807

SCHEMBL8963807

O=C(c1cncc(-c2cccnc2)c1)c1cccc(N2CCCNCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.56
PRKCQ Q04759 2/20 0.56
PRKCD Q05655 2/20 0.56
PIM1 P11309 5/20 0.52
PIM2 Q9P1W9 6/20 0.48
PIM3 Q86V86 4/20 0.46
ALDH1A1 P00352 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.44
ABL1 P00519 1/20 0.43

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 0.92 PRKCA (0.53) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8965088 0.89 PRKCA (0.51) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8965027 0.89 PRKCA (0.55) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8965174 0.89 PRKCA (0.50) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8965034 0.88 PRKCA (0.52) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL15930671 0.88 PRKCA (0.50) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8965029 0.87 PRKCA (0.56) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8963884 0.87 PRKCA (0.51) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8965379 0.87 PRKCA (0.50) PRKCAPRKCQPRKCDPIM1PIM2
SCHEMBL8965169 0.86 HTR1A (0.49) PRKCAPRKCQPRKCDPIM1PIM2

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 4 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-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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 PRKCA 25/4885PRKCQ 38/4885PRKCD 120/4885
US-20120214799-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.