SCHEMBL15061525

SCHEMBL15061525

Cc1cccc(Sc2c[nH]c3nccc(-c4cc(F)cc(F)c4)c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.47
IDO1 P14902 1/20 0.40
ROCK2 O75116 2/20 0.39
CDC7 O00311 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
PRKACA P17612 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
GRM5 P41594 1/20 0.37
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
RET P07949 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
JAK2 O60674 3/20 0.35
STK4 Q13043 1/20 0.33

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
SCHEMBL858831 0.90 CDK2 (0.47) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL857785 0.87 LRRK2 (0.45) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL857462 0.87 LRRK2 (0.43) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL857303 0.87 LRRK2 (0.45) LRRK2IDO1ROCK2CDC7MAP4K4
SCHEMBL15061526 0.83 LRRK2 (0.49) LRRK2IDO1CDK2GRM5KDR
SCHEMBL857976 0.82 MEN1 (0.41) ROCK2CDC7MAP4K4PIM1PRKACA
SCHEMBL857364 0.81 LRRK2 (0.45) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL857019 0.80 LRRK2 (0.46) LRRK2CDC7JAK2CCNKCDK12
SCHEMBL856857 0.79 LRRK2 (0.40) LRRK2ROCK2CDC7MAP4K4PIM1
SCHEMBL12928780 0.79 DYRK1A (0.39) LRRK2ROCK2CDC7MAP4K4PIM1

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 491/4885IDO1 4638/4885ROCK2 374/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885IDO1 4638/4885ROCK2 374/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885IDO1 4638/4885ROCK2 374/4885

“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.