SCHEMBL8964904

SCHEMBL8964904

Nc1ncc(Br)cc1C(=O)c1cccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.49
PRKCQ Q04759 5/20 0.49
SCD O00767 10/20 0.45
PRKCA P17252 2/20 0.45
PRKCD Q05655 2/20 0.45
DCTPP1 Q9H773 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
SCHEMBL8970168 0.94 PRKCQ (0.49) GBA1PRKCQSCDPRKCAPRKCD
SCHEMBL8970244 0.87 PRKCQ (0.51) GBA1PRKCQPRKCAPRKCD
SCHEMBL1481470 0.84 PRKCQ (0.49) PRKCQPRKCAPRKCD
SCHEMBL8969884 0.83 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL8970034 0.83 PRKCQ (0.49) PRKCQPRKCAPRKCD
SCHEMBL8969876 0.81 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL9010401 0.81 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL8965113 0.81 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8969734 0.81 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL1481538 0.81 CKS1B (0.52) 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 10 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
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 GBA1 1257/4885PRKCQ 38/4885SCD 3057/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 GBA1 1257/4885PRKCQ 38/4885SCD 3057/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 GBA1 1257/4885PRKCQ 38/4885SCD 3057/4885

“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.