SCHEMBL1050796

SCHEMBL1050796

COc1cc(Cc2c[nH]c3ncc(F)cc23)c(F)cc1OCc1nc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 3/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 4/20 0.42
CSF1R P07333 1/20 0.41
KIT P10721 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
AURKC Q9UQB9 1/20 0.41
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL413806 0.92 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL415330 0.92 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1052476 0.92 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL12929900 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1050311 0.89 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL415130 0.89 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1052266 0.89 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1054295 0.89 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1050213 0.89 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TP53POLB
SCHEMBL1054546 0.86 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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
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-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 NPC1 2367/4885RAB9A 1597/4885SMN1; SMN2 1839/4885

“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.