SCHEMBL3306133

SCHEMBL3306133

CC1(C)OB(c2cc(F)c3nccnc3c2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.39
LIPG Q9Y5X9 6/20 0.39
EGFR P00533 2/20 0.36
ROCK1 Q13464 1/20 0.33
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
FFAR1 O14842 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
SCHEMBL18983302 0.78 LPL (0.39) LPLLIPGEGFRROCK1IDO1
SCHEMBL20392597 0.78 LPL (0.41) LPLLIPGEGFRROCK1
SCHEMBL17839012 0.78 LPL (0.40) LPLLIPGEGFRROCK1IDO1
SCHEMBL29502756 0.78 LPL (0.41) LPLLIPGEGFRROCK1
SCHEMBL20392650 0.77 LPL (0.39) LPLLIPGEGFRROCK1IDO1
SCHEMBL3304381 0.76 LPL (0.33) LPLLIPGEGFR
SCHEMBL25292477 0.76 LPL (0.37) LPLLIPGEGFRROCK1
SCHEMBL26664165 0.76 LPL (0.37) LPLLIPGEGFRROCK1IDO1
SCHEMBL25290602 0.76 LPL (0.37) LPLLIPGEGFRROCK1
SCHEMBL25153352 0.74 LPL (0.38) LPLLIPGEGFRROCK1IDO1

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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT LPL 3774/4885LIPG 3175/4885EGFR 4809/4885

“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.