SCHEMBL15464104

SCHEMBL15464104

COc1ncc(F)cc1CNc1ncc(-c2c[nH]c3ncc(C)cc23)s1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.61
CYP2C9 P11712 7/20 0.61
KIT P10721 4/20 0.56
KDR P35968 2/20 0.56
FLT3 P36888 2/20 0.56
AURKC Q9UQB9 2/20 0.56
CYP2C19 P33261 2/20 0.56
CSF1R P07333 1/20 0.56
MAP3K11 Q16584 2/20 0.38
CLK1 P49759 3/20 0.38
DYRK1A Q13627 3/20 0.38

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
SCHEMBL1887126 0.84 CYP3A4 (0.70) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL1887276 0.76 CYP3A4 (1.00) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL1885683 0.74 CYP2C9 (0.71) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL1888026 0.74 CYP3A4 (0.86) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL1885768 0.73 CYP3A4 (0.79) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL1887139 0.73 CYP3A4 (0.79) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL1885261 0.73 CYP3A4 (0.79) CYP3A4CYP2C9KITKDRFLT3
SCHEMBL1885003 0.73 CYP3A4 (0.79) CYP3A4CYP2C9KITKDRFLT3
Plx-5622 SCHEMBL1886955 0.72 CYP3A4 (1.00) CYP3A4CYP2C9KITKDRFLT3
Plx-5622 SCHEMBL29372414 0.72 CYP3A4 (1.00) CYP3A4CYP2C9KITKDRFLT3

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-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 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-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885KIT 1/4885

“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.