SCHEMBL8967199

SCHEMBL8967199

C/C=C\c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.47
PRKCD Q05655 3/20 0.40
GSK3B P49841 2/20 0.40
RPS6KB1 P23443 1/20 0.39
ALDH1A1 P00352 3/20 0.38
PDE10A Q9Y233 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRKCA P17252 3/20 0.37
LMNA P02545 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14984296 1.00 PRKCQ (0.47) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8967848 0.90 PRKCQ (0.48) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8967908 0.90 PRKCQ (0.48) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8966823 0.90 PRKCQ (0.48) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL8966800 0.85 PRKCQ (0.49) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1
SCHEMBL14984292 0.83 PRKCQ (0.53) PRKCQPRKCDALDH1A1KDM4ESMN1; SMN2
SCHEMBL8966913 0.83 PRKCQ (0.53) PRKCQPRKCDALDH1A1KDM4ESMN1; SMN2
SCHEMBL9012709 0.83 PRKCQ (0.67) PRKCQPRKCDRPS6KB1PRKCA
SCHEMBL8967110 0.83 PRKCQ (0.67) PRKCQPRKCDRPS6KB1PRKCA
SCHEMBL8968077 0.83 PRKCQ (0.47) PRKCQPRKCDGSK3BRPS6KB1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815866-B2 Aminopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-30 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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 (2 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 120/4885GSK3B 152/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 PRKCQ 37/4885PRKCD 85/4885GSK3B 346/4885

“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.