SCHEMBL2291142

SCHEMBL2291142

Cc1cc(F)cc(C)c1Nc1cn2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.45
▸ CYP11B1 P15538 4/20 0.45
▸ CYP11B2 P19099 4/20 0.45
▸ LRRK2 Q5S007 7/20 0.44
▸ APP P05067 1/20 0.40
▸ RAPGEF4 Q8WZA2 4/20 0.39
▸ ALDH1A3 P47895 1/20 0.38
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1G2 P78368 1/20 0.35
▸ CLK1 P49759 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL2295454 0.88 MAP3K5 (0.45) MAP3K5CYP11B1CYP11B2LRRK2APP
SCHEMBL28842738 0.76 MAP3K5 (0.52) MAP3K5CYP11B1CYP11B2LRRK2APP
SCHEMBL18924017 0.72 RAPGEF4 (0.39) RAPGEF4
SCHEMBL14427902 0.70 CYP11B1 (0.57) MAP3K5CYP11B1CYP11B2APPALDH1A3
SCHEMBL2289469 0.67 MAPT (0.44) —
SCHEMBL14647252 0.65 MAP3K5 (0.54) MAP3K5CYP11B1CYP11B2LRRK2APP
SCHEMBL1318544 0.65 MAP3K5 (0.61) MAP3K5LRRK2CSNK1DCLK1DYRK1A
SCHEMBL2291146 0.64 L3MBTL1 (0.42) RAPGEF4
SCHEMBL21708014 0.64 ALDH1A3 (0.82) CYP11B1CYP11B2APPALDH1A3CLK1
SCHEMBL755503 0.63 APP (0.46) MAP3K5CYP11B1CYP11B2APPALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258151-B2 3-aminoimidazo [1,2-A] pyridine derivatives as SGLT inhibitors MERCK PATENT GMBH (DE) 2012-09-04 — — US disclosed
US-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2011-08-11 — — 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-20110195991-A1 3-AMINOIMIDAZO [1,2-A] PYRIDINE DERIVATIVES AS SGLT INHIBITORS GLP1R, SLC5A1, SLC5A2 MAP3K5 1158/4885CYP11B1 2023/4885CYP11B2 2669/4885

“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