SCHEMBL8970022

SCHEMBL8970022

Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCN(CCc3ccccc3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 11/20 0.51
CASP1 P29466 1/20 0.45
CASP4 P49662 1/20 0.45
CASP5 P51878 1/20 0.45
PRKCA P17252 2/20 0.44
PRKCD Q05655 2/20 0.44
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL9008398 0.91 PRKCQ (0.50) PRKCQCASP1CASP4CASP5PRKCA
SCHEMBL9010807 0.89 PRKCQ (0.54) PRKCQPRKCAPRKCD
SCHEMBL8970076 0.87 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8969864 0.86 PRKCQ (0.53) PRKCQPRKCAPRKCDDRD3
SCHEMBL8970185 0.86 PRKCQ (0.69) PRKCQPRKCAPRKCD
SCHEMBL9008438 0.85 PRKCQ (0.50) PRKCQPRKCAPRKCD
SCHEMBL8970084 0.84 PRKCQ (0.49) PRKCQPRKCAPRKCD
SCHEMBL8970131 0.84 PRKCQ (0.50) PRKCQPRKCAPRKCD
SCHEMBL8970120 0.84 PRKCQ (0.52) PRKCQPRKCAPRKCD
SCHEMBL8970028 0.84 PRKCQ (0.71) PRKCQPRKCAPRKCD

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 38/4885CASP1 3960/4885CASP4 4287/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885CASP1 3960/4885CASP4 4287/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885CASP1 3960/4885CASP4 4287/4885

“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.