SCHEMBL12640383

SCHEMBL12640383

Cc1cc(C=O)cnc1NCc1cnccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.44
CYP3A4 P08684 2/20 0.41
PRKCQ Q04759 16/20 0.39
CYP2C19 P33261 1/20 0.39
PRKCD Q05655 13/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL12675585 0.87 CD38 (0.40) CD38CYP3A4PRKCQCYP2C19PRKCD
SCHEMBL12640348 0.83 CD38 (0.43) CD38CYP3A4PRKCQCYP2C19PRKCD
SCHEMBL15472206 0.81 HDAC3 (0.45) CD38CYP3A4PRKCQCYP2C19PRKCD
SCHEMBL12640377 0.74 CYP2C9 (0.47) CYP3A4CYP2C19
SCHEMBL12675590 0.72 CYP3A4 (0.41) CD38CYP3A4PRKCQCYP2C19PRKCD
SCHEMBL1881856 0.72 CYP3A4 (0.66) CYP3A4CYP2C19
SCHEMBL12674837 0.71 LIMK1 (0.40) CD38CYP3A4PRKCQCYP2C19PRKCD
SCHEMBL7503703 0.71 CD38 (0.41) CD38CYP3A4PRKCQCYP2C19PRKCD
SCHEMBL12640363 0.71 HTR2A (0.45) CYP3A4CYP2C19MAPK1
SCHEMBL12640366 0.71 CYP3A4 (0.44) CYP3A4CYP2C19MAPK1

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 6 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-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
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CD38 1045/4885CYP3A4 3717/4885PRKCQ 352/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CD38 1045/4885CYP3A4 3717/4885PRKCQ 352/4885

“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.