SCHEMBL2544491

SCHEMBL2544491

CCc1ccc(Nc2ccc(C(=O)c3c[nH]c4ncc(C)cc34)c(F)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.44
BRAF P15056 3/20 0.40
CYP3A4 P08684 10/20 0.38
CYP2C9 P11712 6/20 0.37
SYK P43405 2/20 0.36
KIT P10721 2/20 0.36
KDR P35968 2/20 0.36
FLT3 P36888 2/20 0.36
AURKC Q9UQB9 2/20 0.36
CSF1R P07333 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
SCHEMBL2546133 0.89 SYK (0.47) CYP2C19BRAFCYP3A4CYP2C9SYK
SCHEMBL12258883 0.88 KDR (0.41) CYP2C19SYKKDR
SCHEMBL2535903 0.88 CYP3A4 (0.42) CYP2C19BRAFCYP3A4CYP2C9SYK
SCHEMBL2546043 0.85 CYP3A4 (0.49) CYP2C19BRAFCYP3A4CYP2C9KIT
SCHEMBL2539858 0.84 CYP2C19 (0.40) CYP2C19BRAFCYP3A4CYP2C9SYK
SCHEMBL2544440 0.81 CYP3A4 (0.35) CYP3A4CYP2C9SYKFLT3
SCHEMBL2536418 0.80 CYP2C19 (0.68) CYP2C19CYP3A4CYP2C9KITKDR
SCHEMBL2538828 0.80 SYK (0.46) CYP2C19BRAFCYP3A4CYP2C9SYK
SCHEMBL2561618 0.79 CYP3A4 (0.39) CYP2C19CYP3A4
SCHEMBL2559886 0.79 CYP3A4 (0.42) CYP2C19CYP3A4CYP2C9SYK

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-10-05 US disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
EP-2560972-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-09-20 EP disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-9682981-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-06-20 US disclosed
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2015-07-02 US disclosed
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2015-07-02 US disclosed
US-8901118-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-02 US disclosed
EP-2560972-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-02-27 EP disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
WO-2011133637-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-10-27 WO disclosed
US-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Opna Bio SA (CH) 2011-10-27 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 (3 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-20110263595-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, NTRK1, PRKDC CYP2C19 3444/4885BRAF 33/4885CYP3A4 3791/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 CYP2C19 3417/4885BRAF 29/4885CYP3A4 3835/4885
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 CYP2C19 3527/4885BRAF 39/4885CYP3A4 3841/4885

“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.