SCHEMBL8967937

SCHEMBL8967937

O=C(c1cccnc1)c1nc(N2CCN[C@H](c3ccccc3)C2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.48
PRKCD Q05655 4/20 0.48
PRKCA P17252 2/20 0.48
PRKCB P05771 1/20 0.48
FLT3 P36888 1/20 0.48
PRKCE Q02156 1/20 0.48
RPS6KB1 P23443 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GSK3B P49841 2/20 0.39
EIF2AK4 Q9P2K8 3/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PDE10A Q9Y233 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL8967927 1.00 PRKCQ (0.48) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8966447 1.00 PRKCQ (0.48) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8966874 0.93 PRKCQ (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8968438 0.90 PRKCQ (0.45) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967274 0.90 PRKCQ (0.46) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967324 0.88 PDE10A (0.47) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8966591 0.87 PRKCQ (0.43) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8968577 0.87 PRKCQ (0.43) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8967368 0.86 PRKCQ (0.48) PRKCQPRKCDPRKCAPRKCBFLT3
SCHEMBL8968114 0.85 PRKCQ (0.49) 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 2 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-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 (1 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

“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.