SCHEMBL8966014

SCHEMBL8966014

Nc1ncc(-c2c[nH]c3ccccc23)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 17/20 0.64
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
PRKCD Q05655 4/20 0.44
PRKCA P17252 3/20 0.44
RPS6KB1 P23443 1/20 0.40
BTK Q06187 1/20 0.37

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
SCHEMBL9009387 0.87 PRKCQ (0.74) PRKCQPRKCDPRKCARPS6KB1
SCHEMBL9011394 0.87 PRKCQ (0.67) PRKCQPRKCDPRKCARPS6KB1
SCHEMBL11993726 0.87 PRKCQ (0.69) PRKCQPRKCDPRKCARPS6KB1
SCHEMBL8965416 0.86 PRKCQ (0.57) PRKCQIKBKETBK1PRKCDPRKCA
SCHEMBL8965982 0.86 PRKCQ (0.63) PRKCQPRKCDPRKCARPS6KB1
SCHEMBL9011994 0.85 PRKCQ (0.69) PRKCQIKBKETBK1PRKCDPRKCA
SCHEMBL8965965 0.85 PRKCQ (0.66) PRKCQTBK1PRKCDPRKCARPS6KB1
SCHEMBL9012518 0.85 PRKCQ (0.66) PRKCQPRKCDPRKCA
SCHEMBL11993672 0.84 PRKCQ (0.68) PRKCQIKBKETBK1PRKCDPRKCA
SCHEMBL8965950 0.84 PRKCQ (0.70) PRKCQPRKCDPRKCARPS6KB1

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 PRKCQ 38/4885IKBKE 319/4885TBK1 204/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885IKBKE 319/4885TBK1 204/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885IKBKE 319/4885TBK1 204/4885

“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.