SCHEMBL2599951

SCHEMBL2599951

COc1ncc(F)cc1CNc1cccc(F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.52
CYP2C19 P33261 9/20 0.52
CYP2C9 P11712 6/20 0.52
KIT P10721 2/20 0.52
KDR P35968 2/20 0.52
FLT3 P36888 2/20 0.52
AURKC Q9UQB9 2/20 0.52
CSF1R P07333 1/20 0.52
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP1A2 P05177 7/20 0.40
CYP2D6 P10635 7/20 0.40
ALOX15 P16050 5/20 0.40
TSHR P16473 5/20 0.40
HSD17B10 Q99714 4/20 0.40
CLK4 Q9HAZ1 5/20 0.39
USP2 O75604 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 3/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL12675283 0.89 CYP3A4 (0.51) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL15266925 0.83 L3MBTL1 (0.56) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL2599968 0.82 CYP3A4 (0.55) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL2599952 0.81 CYP3A4 (0.58) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL2599950 0.80 CYP3A4 (0.44) CYP3A4CYP2C19KITKDRFLT3
SCHEMBL12675776 0.79 CYP3A4 (0.54) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL12675284 0.78 CYP3A4 (0.51) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL2599962 0.77 CYP3A4 (0.53) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL12675288 0.76 CYP3A4 (0.48) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL15660562 0.75 CYP1A2 (0.61) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496086-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2017-05-31 EP disclosed
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-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-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-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-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 (4 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 CYP3A4 3734/4885CYP2C19 3085/4885CYP2C9 2880/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP3A4 3734/4885CYP2C19 3085/4885CYP2C9 2880/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG CYP3A4 3734/4885CYP2C19 3085/4885CYP2C9 2880/4885
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.