SCHEMBL2113768

SCHEMBL2113768

FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncncc34)cn2)cn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.72
KIT P10721 4/20 0.72
CYP2C19 P33261 4/20 0.72
LCK P06239 1/20 0.72
PGR P06401 1/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
ADRA2A P08913 1/20 0.72
PDGFRB P09619 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
CHRM1 P11229 1/20 0.72
PDGFRA P16234 1/20 0.72
FLT1 P17948 1/20 0.72
DRD1 P21728 1/20 0.72
TBXA2R P21731 1/20 0.72
SLC6A2 P23975 1/20 0.72
ADORA1 P30542 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
OPRM1 P35372 1/20 0.72

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
SCHEMBL2112134 0.89 CYP2C19 (0.57) CSF1RKITCYP2C19LCKPGR
SCHEMBL2112403 0.87 CYP3A4 (0.74) CSF1RKITCYP2C19LCKPGR
SCHEMBL1267263 0.85 CSF1R (0.79) CSF1RKITCYP2C19LCKPGR
SCHEMBL1887615 0.84 CYP2C19 (0.80) CSF1RKITCYP2C19LCKPGR
SCHEMBL1890600 0.84 CYP2C19 (0.80) CSF1RKITCYP2C19LCKPGR
Pexidartinib SCHEMBL29380288 0.84 CSF1R (1.00) CSF1RKITCYP2C19LCKPGR
Pexidartinib SCHEMBL29361827 0.84 CSF1R (1.00) CSF1RKITCYP2C19LCKPGR
Pexidartinib SCHEMBL1267310 0.84 CSF1R (1.00) CSF1RKITCYP2C19LCKPGR
SCHEMBL1883320 0.84 CYP2C19 (1.00) CSF1RKITCYP2C19LCKPGR
SCHEMBL1267803 0.83 CYP2C19 (0.75) CSF1RKITCYP2C19LCKPGR

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-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US claimed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CSF1R 121/4885KIT 31/4885CYP2C19 3085/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CSF1R 121/4885KIT 31/4885CYP2C19 3085/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CSF1R 121/4885KIT 31/4885CYP2C19 3085/4885

“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.