SCHEMBL9014976

SCHEMBL9014976

Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C#CC1CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.65
PRKCD Q05655 9/20 0.53
PRKCA P17252 8/20 0.53
PRKCB P05771 1/20 0.48
FLT3 P36888 1/20 0.48
PRKCE Q02156 1/20 0.48
RPS6KB1 P23443 1/20 0.44

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
SCHEMBL9012904 0.90 PRKCQ (0.67) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9009946 0.90 PRKCQ (0.67) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9012970 0.90 PRKCQ (0.67) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL9012477 0.88 PRKCQ (0.69) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967413 0.85 PRKCQ (0.58) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL11993746 0.85 PRKCQ (0.51) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8966457 0.84 PRKCQ (0.73) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8965892 0.84 PRKCQ (0.73) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967445 0.84 PRKCQ (0.46) PRKCQPRKCDPRKCARPS6KB1
SCHEMBL9009740 0.83 PRKCQ (0.76) PRKCQPRKCDPRKCAPRKCBFLT3

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 8 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-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-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 38/4885PRKCD 120/4885PRKCA 25/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885PRKCA 25/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCQ 38/4885PRKCD 120/4885PRKCA 25/4885

“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.