SCHEMBL1053285

SCHEMBL1053285

COc1ccc2[nH]c(COc3cc(F)c(Cc4c[nH]c5ncccc45)cc3OC)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
FGFR4 P22455 1/20 0.48
GPR84 Q9NQS5 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
AURKA O14965 1/20 0.39
DYRK1A Q13627 3/20 0.39
GSK3B P49841 2/20 0.39
CDK9 P50750 2/20 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
SCHEMBL1052247 0.93 FGFR1 (0.48) FGFR1FGFR4GPR84CYP3A4CYP2C19
SCHEMBL415130 0.91 NPC1 (0.50) FGFR1FGFR4GPR84CYP3A4CYP2C19
SCHEMBL1050452 0.88 CYP1A2 (0.42) GPR84CYP3A4CYP2C19DRD3HTR1A
SCHEMBL1049812 0.86 RAB9A (0.43) FGFR1FGFR4GPR84CYP3A4CYP2C19
SCHEMBL415330 0.82 NPC1 (0.48) CYP3A4NPC1RAB9ASMN1; SMN2TP53
SCHEMBL856575 0.82 NPC1 (0.47) FGFR1FGFR4GPR84CYP3A4CYP2C19
SCHEMBL12961105 0.81 CYP3A4 (0.45) CYP3A4CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL1050290 0.81 CYP2C9 (0.43) GPR84CYP3A4CYP2C19DRD3HTR1A
SCHEMBL1054324 0.80 NPC1 (0.50) FGFR1FGFR4GPR84CYP3A4CYP2C19
SCHEMBL1053298 0.80 CYP2C9 (0.44) CYP3A4CYP2C19DRD3HTR1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 FGFR1 775/4885FGFR4 1185/4885GPR84 4039/4885

“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.