SCHEMBL9010807

SCHEMBL9010807

Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCN(CCO)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.54
PRKCA P17252 3/20 0.47
PRKCD Q05655 3/20 0.47
PIM1 P11309 2/20 0.43
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
HSD17B14 Q9BPX1 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL9008438 0.96 PRKCQ (0.50) PRKCQPRKCAPRKCDPIM1ROCK2
SCHEMBL8970076 0.90 PRKCQ (0.55) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL8970022 0.89 PRKCQ (0.51) PRKCQPRKCAPRKCD
SCHEMBL8969864 0.89 PRKCQ (0.53) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL13857242 0.89 PRKCQ (0.47) PRKCQPRKCAPRKCDPIM1HSD17B14
SCHEMBL8970038 0.89 PRKCQ (0.56) PRKCQPRKCAPRKCDPIM1HSD17B14
SCHEMBL8970120 0.87 PRKCQ (0.52) PRKCQPRKCAPRKCDHSD17B14
SCHEMBL9008398 0.87 PRKCQ (0.50) PRKCQPRKCAPRKCD
SCHEMBL8970131 0.87 PRKCQ (0.50) PRKCQPRKCAPRKCD
SCHEMBL8970028 0.87 PRKCQ (0.71) PRKCQPRKCAPRKCDPIM1HSD17B14

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 5 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
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 (3 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 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 120/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCA 25/4885PRKCD 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.