SCHEMBL1055048

SCHEMBL1055048

COc1cc(Cc2c[nH]c3ncc(Cl)cc23)c(F)cc1OCc1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.44
CYP2C9 P11712 5/20 0.43
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 5/20 0.40
IDO1 P14902 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AMY1A P0DUB6 3/20 0.37
PCSK9 Q8NBP7 1/20 0.36
LCK P06239 1/20 0.36
PGR P06401 1/20 0.36
CSF1R P07333 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
PDGFRB P09619 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL1050290 0.93 CYP2C9 (0.43) BRS3CYP2C9RAB9ACYP1A2CYP3A4
SCHEMBL413806 0.92 NPC1 (0.48) CYP2C9RAB9ACYP1A2CYP3A4IDO1
SCHEMBL1053846 0.91 CYP2C9 (0.43) BRS3CYP2C9RAB9ACYP1A2CYP3A4
SCHEMBL1049812 0.90 RAB9A (0.43) BRS3RAB9ACYP3A4IDO1CYP2C19
SCHEMBL1053298 0.89 CYP2C9 (0.44) CYP2C9RAB9ACYP1A2CYP3A4IDO1
SCHEMBL1050452 0.88 CYP1A2 (0.42) BRS3CYP2C9RAB9ACYP1A2CYP3A4
SCHEMBL1050780 0.88 CYP3A4 (0.43) CYP2C9CYP1A2CYP3A4IDO1CYP2C19
SCHEMBL1053223 0.86 CYP2C9 (0.41) BRS3CYP2C9RAB9ACYP1A2CYP3A4
SCHEMBL410796 0.86 CYP2C9 (0.48) CYP2C9CYP1A2CYP3A4IDO1CYP2D6
SCHEMBL1051971 0.84 NPC1 (0.48) CYP2C9RAB9ANPC1SMN1; SMN2TDP1

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 6 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
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
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US 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 BRS3 3937/4885CYP2C9 4746/4885RAB9A 1597/4885

“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.