SCHEMBL15061526

SCHEMBL15061526

Cc1cccc(Sc2c[nH]c3nccc(-c4cccc(C(F)(F)F)c4)c23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.49
TGFBR1 P36897 1/20 0.41
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
TOP2A P11388 1/20 0.38
IDO1 P14902 1/20 0.37
GRM5 P41594 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDGFRA P16234 2/20 0.36
KDR P35968 2/20 0.36
FGFR1 P11362 1/20 0.36
DHODH Q02127 1/20 0.36
PRKCQ Q04759 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL856978 0.86 EPHX2 (0.44) LRRK2TGFBR1CCNT1CCNA2CDK2
SCHEMBL857828 0.84 LRRK2 (0.45) LRRK2TGFBR1CCNT1CCNA2CDK2
SCHEMBL857757 0.84 MEN1 (0.43) TGFBR1CCNT1CCNA2CDK2CDK9
SCHEMBL15061525 0.83 LRRK2 (0.47) LRRK2CDK2IDO1GRM5KDR
SCHEMBL857304 0.82 TGFBR1 (0.47) LRRK2TGFBR1CCNT1CCNA2CDK2
SCHEMBL857747 0.80 TGFBR1 (0.41) LRRK2TGFBR1CCNT1CCNA2CDK2
SCHEMBL857303 0.77 LRRK2 (0.45) LRRK2CDK2IDO1PDGFRAKDR
SCHEMBL857019 0.74 LRRK2 (0.46) LRRK2DYRK1AKMT2A
SCHEMBL857088 0.74 LRRK2 (0.55) LRRK2TGFBR1CCNT1CCNA2CDK2
SCHEMBL858066 0.73 LRRK2 (0.57) LRRK2TGFBR1CDK2IDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US 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 (3 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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885TGFBR1 4446/4885CCNT1 1376/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885TGFBR1 4446/4885CCNT1 1376/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885TGFBR1 4446/4885CCNT1 1376/4885

“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.