SCHEMBL8969876

SCHEMBL8969876

CC(C)C(=O)N1CCCN(c2cccc(C(=O)c3cc(Br)cnc3N)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 16/20 0.53
PRKCA P17252 3/20 0.46
PRKCD Q05655 3/20 0.46
MAP4K4 O95819 1/20 0.45
TIPARP Q7Z3E1 1/20 0.39

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
SCHEMBL8969884 0.87 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL9010401 0.87 PRKCQ (0.53) PRKCQPRKCAPRKCD
SCHEMBL8970151 0.87 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8970028 0.86 PRKCQ (0.71) PRKCQPRKCAPRKCD
SCHEMBL8965113 0.85 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL8969734 0.85 PRKCQ (0.55) PRKCQPRKCAPRKCD
SCHEMBL1481538 0.85 CKS1B (0.52) PRKCQPRKCAPRKCDMAP4K4
SCHEMBL8969814 0.85 PRKCQ (0.73) PRKCQPRKCAPRKCDMAP4K4
SCHEMBL8964299 0.85 PRKCQ (0.51) PRKCQPRKCAPRKCD
SCHEMBL8970034 0.84 PRKCQ (0.49) 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 38/4885PRKCA 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.