SCHEMBL1887890

SCHEMBL1887890

Cc1cnc2[nH]cc(Cc3ccc(NCc4ccc(C(F)(F)F)nc4)nc3F)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 1.00
CYP2C19 P33261 3/20 0.78
CYP2C9 P11712 7/20 0.70
KIT P10721 3/20 0.63
KDR P35968 3/20 0.63
FLT3 P36888 3/20 0.63
AURKC Q9UQB9 2/20 0.63
CSF1R P07333 2/20 0.62
LCK P06239 1/20 0.61
PGR P06401 1/20 0.61
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
PDGFRB P09619 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
PDGFRA P16234 1/20 0.61
FLT1 P17948 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61

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
SCHEMBL30695628 1.00 CYP3A4 (1.00) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1884445 0.92 CYP3A4 (0.85) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1890381 0.91 CYP3A4 (0.83) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1267456 0.90 CYP3A4 (0.82) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1889936 0.90 CYP3A4 (0.82) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1267460 0.89 CYP3A4 (0.80) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1266424 0.89 CYP3A4 (0.79) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1886989 0.88 CYP3A4 (0.80) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1890481 0.88 CYP3A4 (0.78) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1883320 0.88 CYP2C19 (1.00) CYP3A4CYP2C19CYP2C9KITKDR

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US claimed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP claimed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO claimed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 US claimed
EP-4295912-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Daiichi Sankyo, Inc. (US) 2023-12-27 EP disclosed
US-10123998-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-11-13 US disclosed
US-20180055828-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2018-03-01 US disclosed
US-9730918-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-08-15 US disclosed
US-20160243092-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2016-08-25 US disclosed
US-9358235-B2 Kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-06-07 US disclosed
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
US-20140037617-A1 KINASE MODULATION, AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2014-02-06 US disclosed
WO-2013142427-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2013-09-26 WO disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO 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 (6 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-10123998-B2 Kinase modulation, and indications therefor FLT3, FLT4, FLT1 CYP3A4 4236/4885CYP2C19 3521/4885CYP2C9 4286/4885
US-20140037617-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 CYP3A4 4236/4885CYP2C19 3521/4885CYP2C9 4286/4885
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C19 4018/4885CYP2C9 3884/4885
US-20160243092-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 CYP3A4 4236/4885CYP2C19 3521/4885CYP2C9 4286/4885
US-20180055828-A1 KINASE MODULATION, AND INDICATIONS THEREFOR FLT3, FLT4, FLT1 CYP3A4 4236/4885CYP2C19 3521/4885CYP2C9 4286/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C19 4018/4885CYP2C9 3884/4885

“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.