SCHEMBL1887135

SCHEMBL1887135

COc1ncccc1CNc1ccc(Cc2c[nH]c3ncc(C4CC4)cc23)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.62
CYP2C9 P11712 7/20 0.62
CYP2C19 P33261 6/20 0.55
CSF1R P07333 4/20 0.54
KIT P10721 4/20 0.51
CYP2D6 P10635 1/20 0.47
KDR P35968 3/20 0.46
FLT3 P36888 3/20 0.46
AURKC Q9UQB9 2/20 0.46
LCK P06239 1/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
PDGFRB P09619 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
DRD1 P21728 1/20 0.45

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
SCHEMBL1885780 0.88 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1888265 0.87 CYP3A4 (0.73) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1267129 0.87 CYP3A4 (0.81) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1266579 0.86 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1266786 0.86 CYP3A4 (0.69) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1882018 0.85 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL12251848 0.85 CYP3A4 (0.63) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1888428 0.85 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1885785 0.84 CSF1R (0.68) CYP3A4CYP2C9CYP2C19CSF1RKIT
SCHEMBL1267730 0.84 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19CSF1RKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295912-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Daiichi Sankyo, Inc. (US) 2023-12-27 EP 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
EP-2827904-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-01-28 EP 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
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 (2 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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885CYP2C19 4018/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF CYP3A4 3717/4885CYP2C9 3884/4885CYP2C19 4018/4885

“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.