SCHEMBL8965351

SCHEMBL8965351

Nc1ncc(-c2csc3ccccc23)cc1C(=O)c1cccc(N2CCCNCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 14/20 0.59
PRKCA P17252 2/20 0.59
PRKCD Q05655 2/20 0.59
CHEK1 O14757 1/20 0.45
ATR Q13535 2/20 0.39
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
IKBKE Q14164 1/20 0.38
TBK1 Q9UHD2 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
SCHEMBL8970484 0.92 PRKCQ (0.46) PRKCQPRKCAPRKCDCHEK1
SCHEMBL8965159 0.85 PRKCQ (0.60) PRKCQPRKCAPRKCDATRBMPR1B
SCHEMBL9007436 0.84 PRKCQ (0.69) PRKCQPRKCAPRKCDIKBKETBK1
SCHEMBL8970132 0.84 PRKCQ (0.64) PRKCQPRKCAPRKCDBMPR1BBMPR1A
SCHEMBL8965982 0.84 PRKCQ (0.63) PRKCQPRKCAPRKCDCHEK1
SCHEMBL8965476 0.83 PRKCQ (0.58) PRKCQPRKCAPRKCDATR
SCHEMBL9011703 0.82 PRKCQ (0.64) PRKCQPRKCAPRKCDCHEK1IKBKE
SCHEMBL9011014 0.82 PRKCQ (0.68) PRKCQPRKCAPRKCDIKBKETBK1
SCHEMBL9008522 0.81 PRKCQ (0.67) PRKCQPRKCAPRKCDIKBKETBK1
SCHEMBL11993648 0.81 PRKCQ (0.67) PRKCQPRKCAPRKCDIKBKETBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 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-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 (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-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.