SCHEMBL8968932

SCHEMBL8968932

C=C(F)c1ccc(N2CCNC(c3ccc(F)cc3)C2)nc1C(=O)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 13/20 0.42
GSK3B P49841 3/20 0.40
ALDH1A1 P00352 2/20 0.38
RPS6KB1 P23443 1/20 0.37
PRKCD Q05655 7/20 0.36
PRKCA P17252 6/20 0.36
PRKCB P05771 1/20 0.36
FLT3 P36888 1/20 0.36
PRKCE Q02156 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8968285 0.93 PRKCQ (0.49) PRKCQGSK3BALDH1A1RPS6KB1PRKCD
SCHEMBL8968269 0.93 PRKCQ (0.49) PRKCQGSK3BALDH1A1RPS6KB1PRKCD
SCHEMBL8968114 0.93 PRKCQ (0.49) PRKCQGSK3BALDH1A1RPS6KB1PRKCD
SCHEMBL8968518 0.93 PRKCQ (0.47) PRKCQALDH1A1RPS6KB1PRKCDPRKCA
SCHEMBL8968254 0.87 GSK3B (0.43) PRKCQGSK3BALDH1A1RPS6KB1PRKCD
SCHEMBL9010561 0.84 PRKCQ (0.60) PRKCQRPS6KB1PRKCDPRKCAPRKCB
SCHEMBL15930710 0.82 PRKCQ (0.57) PRKCQGSK3BALDH1A1PRKCDPRKCA
SCHEMBL8967599 0.81 PRKCQ (0.56) PRKCQALDH1A1PRKCDPRKCAPRKCB
SCHEMBL9012860 0.81 PRKCQ (0.61) PRKCQRPS6KB1PRKCDPRKCAPRKCB
SCHEMBL8968639 0.80 PRKCQ (0.47) PRKCQALDH1A1PRKCDPRKCAPRKCB

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 38/4885GSK3B 152/4885ALDH1A1 4211/4885

“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.