SCHEMBL8965654

SCHEMBL8965654

Nc1ncccc1C(=O)c1cccc(N2CCN(C(=O)CC(F)(F)F)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.64
PRKCA P17252 4/20 0.64
PRKCD Q05655 4/20 0.64
SMO Q99835 1/20 0.41
PRKCB P05771 1/20 0.41
FLT3 P36888 1/20 0.41
PRKCE Q02156 1/20 0.41

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
SCHEMBL8969883 0.96 PRKCQ (0.67) PRKCQPRKCAPRKCDSMOPRKCB
SCHEMBL11993701 0.92 PRKCQ (0.63) PRKCQPRKCAPRKCDSMOPRKCB
SCHEMBL8969877 0.87 PRKCQ (0.65) PRKCQPRKCAPRKCD
SCHEMBL8969777 0.87 PRKCQ (0.69) PRKCQPRKCAPRKCDSMO
SCHEMBL13857189 0.85 PRKCQ (0.54) PRKCQPRKCAPRKCDSMO
SCHEMBL8969670 0.83 PRKCQ (0.73) PRKCQPRKCAPRKCD
SCHEMBL8964708 0.82 PRKCQ (0.66) PRKCQPRKCAPRKCDSMO
SCHEMBL1481470 0.82 PRKCQ (0.49) PRKCQPRKCAPRKCD
SCHEMBL1481443 0.81 PRKCQ (0.48) PRKCQPRKCAPRKCD
SCHEMBL8969827 0.81 PRKCQ (0.67) 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 9 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-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-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.