SCHEMBL12899423

SCHEMBL12899423

[C-]#[N+]c1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)cc4)nc3F)c2c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 17/20 0.65
CYP2C9 P11712 7/20 0.65
CYP2C19 P33261 3/20 0.55
CYP2D6 P10635 1/20 0.52
KIT P10721 2/20 0.51
KDR P35968 2/20 0.51
FLT3 P36888 2/20 0.51
AURKC Q9UQB9 2/20 0.51
CSF1R P07333 1/20 0.50

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
SCHEMBL1267479 0.89 CYP3A4 (0.80) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL1882053 0.87 CYP3A4 (0.82) CYP1A2CYP3A4CYP2C9CYP2C19KIT
SCHEMBL12251785 0.85 CYP3A4 (0.66) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL1266480 0.84 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL1888289 0.84 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19KIT
SCHEMBL2112330 0.82 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL1266685 0.81 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C9CYP2C19KIT
SCHEMBL1878871 0.81 CYP3A4 (0.82) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL12898470 0.79 CYP3A4 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL1885724 0.79 CYP3A4 (1.00) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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-7893075-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON, INC. (US) 2011-02-22 US disclosed
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 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-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 CYP1A2 4297/4885CYP3A4 3847/4885CYP2C9 4122/4885

“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.