SCHEMBL2540422

SCHEMBL2540422

Cc1cnc2[nH]cc(Cc3cnc(Nc4cc(C(C)(C)C)n[nH]4)nc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 9/20 0.53
CYP2C19 P33261 5/20 0.53
CYP3A4 P08684 12/20 0.52
LCK P06239 1/20 0.38
PGR P06401 1/20 0.38
CSF1R P07333 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
PDGFRB P09619 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
KIT P10721 1/20 0.38
CHRM1 P11229 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC6A4 P31645 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
SCHEMBL2540324 0.91 CYP2C19 (0.57) CYP2C9CYP2C19CYP3A4LCKPGR
SCHEMBL2542495 0.82 CYP2C9 (0.52) CYP2C9CYP2C19CYP3A4KITKDR
SCHEMBL2539614 0.81 CYP2C9 (0.56) CYP2C9CYP2C19CYP3A4LCKFLT1
SCHEMBL2544786 0.79 CYP3A4 (0.52) CYP2C9CYP2C19CYP3A4KDR
SCHEMBL2537798 0.79 CYP3A4 (0.55) CYP2C9CYP2C19CYP3A4CSF1R
Ammonia Solution, Strong SCHEMBL2546398 0.78 CYP3A4 (0.54) CYP2C9CYP2C19CYP3A4CSF1R
SCHEMBL2585775 0.77 CYP3A4 (0.56) CYP2C9CYP2C19CYP3A4
SCHEMBL19366349 0.76 CYP3A4 (0.57) CYP2C9CYP2C19CYP3A4LCKPGR
SCHEMBL2543533 0.74 CYP2C19 (0.65) CYP2C9CYP2C19CYP3A4LCKPGR
SCHEMBL2540030 0.74 CYP3A4 (0.62) CYP2C9CYP2C19CYP3A4CSF1RKIT

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 15 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
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.