SCHEMBL17810122

SCHEMBL17810122

Cc1ncc(-c2cc3c(cc2C#N)NCCC3)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.36
▸ FGFR4 P22455 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TBK1 Q9UHD2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KEAP1 Q14145 1/20 0.32
▸ PLAT P00750 1/20 0.31
▸ NUDT1 P36639 1/20 0.31
▸ OGA O60502 2/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ JAK3 P52333 1/20 0.30

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
SCHEMBL17809740 0.76 FGFR4 (0.41) LRRK2FGFR4CYP11B1CYP11B2KEAP1
SCHEMBL19368978 0.74 FGFR4 (0.40) LRRK2FGFR4CYP11B1CYP11B2KEAP1
SCHEMBL31601615 0.72 USP30 (0.45) LRRK2CYP11B1CYP11B2
SCHEMBL21255142 0.70 FGFR4 (0.44) LRRK2FGFR4TBK1PDE10AJAK2
SCHEMBL26112159 0.68 OTUD7B (0.42) CYP11B2MAPT
SCHEMBL30993515 0.68 EED (0.37) CYP11B2PDE10AMAPTHSD17B10
SCHEMBL30480876 0.68 OTUD7B (0.42) CYP11B2MAPT
SCHEMBL21254969 0.68 MAPT (0.40) ATMMAPTHSD17B10
SCHEMBL30480863 0.68 MAPT (0.40) ATMMAPTHSD17B10
SCHEMBL17785738 0.65 DRD1 (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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 (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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 LRRK2 1250/4885FGFR4 2821/4885CYP11B1 1468/4885

“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.

Send feedback