SCHEMBL1055062

SCHEMBL1055062

O=Cc1cc(Cl)c(OCc2nc3ccccc3[nH]2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
BRS3 P32247 2/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL856396 0.92 NPC1 (0.55) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL12338586 0.90 RAB9A (0.51) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL14147581 0.87 NPC1 (0.50) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL856031 0.86 NPC1 (0.61) RAB9ANPC1SMN1; SMN2POLBTP53
SCHEMBL5299656 0.80 NPC1 (0.64) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL1049736 0.79 NPC1 (0.61) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL856013 0.78 NPC1 (0.53) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL1055125 0.78 RAB9A (0.51) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL1049735 0.78 RAB9A (0.51) RAB9ANPC1SMN1; SMN2POLBTDP1
SCHEMBL1052529 0.77 RAB9A (0.44) RAB9ANPC1SMN1; SMN2POLBTDP1

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 11 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-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 RAB9A 1597/4885NPC1 2367/4885SMN1; 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.