SCHEMBL2545772

SCHEMBL2545772

CCOc1ccc(Nc2ncc(Cc3c[nH]c4ncc(C)cc34)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.57
CYP2C19 P33261 4/20 0.57
CYP3A4 P08684 10/20 0.55
SYK P43405 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 1/20 0.40
KDR P35968 2/20 0.40
CSF1R P07333 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
AURKC Q9UQB9 1/20 0.40

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
SCHEMBL2540050 0.92 CYP2C9 (0.55) CYP2C9CYP2C19CYP3A4MAPTKDR
SCHEMBL2537966 0.90 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4KDRCSF1R
SCHEMBL2537090 0.88 CYP2C9 (0.60) CYP2C9CYP2C19CYP3A4NPC1KDR
SCHEMBL2540249 0.88 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4KDRCSF1R
SCHEMBL19366349 0.86 CYP3A4 (0.57) CYP2C9CYP2C19CYP3A4KDRCSF1R
SCHEMBL2540030 0.86 CYP3A4 (0.62) CYP2C9CYP2C19CYP3A4KDRCSF1R
SCHEMBL2542238 0.84 CYP3A4 (0.58) CYP2C9CYP2C19CYP3A4KDRCSF1R
SCHEMBL2537798 0.84 CYP3A4 (0.55) CYP2C9CYP2C19CYP3A4CSF1R
Ammonia Solution, Strong SCHEMBL2546398 0.83 CYP3A4 (0.54) CYP2C9CYP2C19CYP3A4CSF1R
SCHEMBL2541107 0.82 CYP2C9 (0.76) CYP2C9CYP2C19CYP3A4KDRCSF1R

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 14 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
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 CYP2C9 3483/4885CYP2C19 3444/4885CYP3A4 3791/4885
US-20170283423-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 CYP2C9 3333/4885CYP2C19 3417/4885CYP3A4 3835/4885
US-20150183793-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, PRKDC, NTRK1 CYP2C9 3493/4885CYP2C19 3527/4885CYP3A4 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.