SCHEMBL9010981

SCHEMBL9010981

COc1cccc(-c2cnc(N)c(C(=O)c3cccc(N4CCCNCC4)n3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 10/20 0.61
PRKCA P17252 2/20 0.61
PRKCD Q05655 2/20 0.61
TGFBR1 P36897 5/20 0.51
ACVR1 Q04771 4/20 0.51
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
HTR3A P46098 1/20 0.47
PRKCI P41743 1/20 0.44
CHEK2 O96017 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
NEK2 P51955 1/20 0.42

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
SCHEMBL9011048 0.92 PRKCQ (0.62) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL8970228 0.91 PRKCQ (0.50) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL13857246 0.91 PRKCQ (0.53) PRKCQPRKCAPRKCDTGFBR1ACVR1
SCHEMBL9011520 0.89 PRKCQ (0.65) PRKCQPRKCAPRKCDHTR1AHTR7
SCHEMBL9008522 0.89 PRKCQ (0.67) PRKCQPRKCAPRKCDPRKCIIKBKE
SCHEMBL9007436 0.89 PRKCQ (0.69) PRKCQPRKCAPRKCDPRKCIIKBKE
SCHEMBL9010916 0.88 PRKCQ (0.66) PRKCQPRKCAPRKCDPRKCIIKBKE
SCHEMBL9013062 0.86 PRKCQ (0.66) PRKCQPRKCAPRKCDPRKCIIKBKE
SCHEMBL9011014 0.86 PRKCQ (0.68) PRKCQPRKCAPRKCDPRKCIIKBKE
SCHEMBL9010102 0.85 PRKCQ (0.70) PRKCQPRKCAPRKCDPRKCIIKBKE

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-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-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.