SCHEMBL8967368

SCHEMBL8967368

O=C(c1cccnc1)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.48
ALDH1A1 P00352 3/20 0.41
PRKCD Q05655 5/20 0.41
RPS6KB1 P23443 1/20 0.40
GSK3B P49841 2/20 0.39
PRKCA P17252 5/20 0.38
NAPEPLD Q6IQ20 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 1/20 0.36
PRKCB P05771 1/20 0.36
FLT3 P36888 1/20 0.36
PRKCE Q02156 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8966881 0.87 PRKCQ (0.51) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8967927 0.86 PRKCQ (0.48) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8966447 0.86 PRKCQ (0.48) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8967937 0.86 PRKCQ (0.48) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8968285 0.85 PRKCQ (0.49) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8968269 0.85 PRKCQ (0.49) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8968114 0.85 PRKCQ (0.49) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8966800 0.85 PRKCQ (0.49) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8966874 0.84 PRKCQ (0.47) PRKCQALDH1A1PRKCDRPS6KB1GSK3B
SCHEMBL8967908 0.84 PRKCQ (0.48) PRKCQALDH1A1PRKCDRPS6KB1GSK3B

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 38/4885ALDH1A1 4211/4885PRKCD 120/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 PRKCQ 37/4885ALDH1A1 2761/4885PRKCD 85/4885

“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.