SCHEMBL8970227

SCHEMBL8970227

C=Cc1cnc(N)c(C(=O)c2cccc(N3CCCN(C(C)C)CC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.53
PRKCA P17252 3/20 0.46
PRKCD Q05655 3/20 0.46
PTPN11 Q06124 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
OGA O60502 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
SCHEMBL13857203 0.90 PRKCQ (0.45) PRKCQPRKCAPRKCDHRH3OGA
SCHEMBL8970017 0.89 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8970152 0.88 PRKCQ (0.69) PRKCQPRKCAPRKCD
SCHEMBL8970271 0.87 PRKCQ (0.53) PRKCQPRKCAPRKCDPTPN11HRH3
SCHEMBL8970151 0.87 PRKCQ (0.55) PRKCQPRKCAPRKCDPTPN11HRH3
SCHEMBL11993695 0.84 PRKCQ (0.52) PRKCQPRKCAPRKCDPTPN11HRH3
SCHEMBL9013152 0.83 PRKCQ (0.68) PRKCQPRKCAPRKCD
SCHEMBL8970111 0.83 PRKCQ (0.76) PRKCQPRKCAPRKCD
SCHEMBL8965423 0.83 PRKCQ (0.66) PRKCQPRKCAPRKCD
SCHEMBL8964299 0.83 PRKCQ (0.51) PRKCQPRKCAPRKCDPTPN11HRH3

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-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-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
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.