SCHEMBL1052247

SCHEMBL1052247

COc1ccc2nc(COc3cc(F)c(Cc4c[nH]c5ncccc45)cc3OC)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.48
FGFR4 P22455 1/20 0.48
BRS3 P32247 1/20 0.45
GPR84 Q9NQS5 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 1/20 0.41
GSK3B P49841 2/20 0.40
CDK9 P50750 2/20 0.40
DYRK1A Q13627 2/20 0.40
CCNT1 O60563 1/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
PCSK9 Q8NBP7 1/20 0.40

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
SCHEMBL1053285 0.93 FGFR1 (0.48) FGFR1FGFR4BRS3GPR84ALDH1A1
SCHEMBL1049812 0.91 RAB9A (0.43) FGFR1FGFR4BRS3GPR84ALDH1A1
SCHEMBL415130 0.91 NPC1 (0.50) FGFR1FGFR4GPR84ALDH1A1MAPT
SCHEMBL415330 0.82 NPC1 (0.48) ALDH1A1LMNAHTTCYP3A4NPC1
SCHEMBL856575 0.82 NPC1 (0.47) FGFR1FGFR4GPR84LMNAMAPT
SCHEMBL1050452 0.81 CYP1A2 (0.42) BRS3GPR84ALDH1A1CYP3A4CYP2C19
SCHEMBL1055048 0.81 BRS3 (0.44) BRS3CYP3A4CYP2C19DRD3PCSK9
SCHEMBL1054324 0.80 NPC1 (0.50) FGFR1FGFR4GPR84ALDH1A1MAPT
SCHEMBL1050796 0.80 NPC1 (0.49) ALDH1A1MAPTCYP3A4CYP2C19NPC1
SCHEMBL415740 0.79 GPR84 (0.51) FGFR1FGFR4GPR84CYP3A4CYP2C19

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 9 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 claimed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US claimed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
US-20230020356-A1 METHODS OF STRATIFYING AND TREATING A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-01-19 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
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 FGFR1 775/4885FGFR4 1185/4885BRS3 3937/4885

“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.