SCHEMBL1051963

SCHEMBL1051963

Fc1ccc(OCC(F)(F)F)c(Cl)c1Cc1c[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.50
MET P08581 2/20 0.45
CSF1R P07333 1/20 0.42
KIT P10721 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
HTR2A P28223 4/20 0.39
HTR7 P34969 4/20 0.39
HTR6 P50406 2/20 0.39
DRD4 P21917 8/20 0.39
DRD2 P14416 7/20 0.39
DRD3 P35462 7/20 0.39
HTR1A P08908 3/20 0.39
CYP3A4 P08684 2/20 0.39
CACNA1F O60840 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL411594 0.84 MET (0.56) GPR84METCSF1RKITFGFR1
SCHEMBL1050255 0.84 GPR84 (0.49) GPR84METCSF1RFGFR1FGFR4
SCHEMBL1053568 0.81 CYP3A4 (0.50) CSF1RKITFGFR1FGFR4DRD3
SCHEMBL1054728 0.76 BRAF (0.53) CSF1RKITFGFR1CYP3A4CYP2C19
SCHEMBL415616 0.76 GPR84 (0.71) GPR84METCSF1RKITFGFR1
SCHEMBL1049800 0.76 ALK (0.48) MET
SCHEMBL856843 0.74 FGFR1 (0.59) GPR84METCSF1RKITFGFR1
SCHEMBL414348 0.74 GPR84 (0.50) GPR84METCSF1RKITFGFR1
SCHEMBL415488 0.74 GPR84 (0.47) GPR84METFGFR1FGFR4HTR2A
SCHEMBL7963485 0.73 FGFR1 (0.47) GPR84METFGFR1FGFR4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP claimed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US claimed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO 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 (1 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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR84 4039/4885MET 556/4885CSF1R 2023/4885

“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.