SCHEMBL2295454

SCHEMBL2295454

Cc1cccc(C)c1Nc1cn2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.45
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ SRC P12931 2/20 0.43
▸ LRRK2 Q5S007 9/20 0.40
▸ APP P05067 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ P2RX7 Q99572 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL2291142 0.88 MAP3K5 (0.45) MAP3K5CYP11B1CYP11B2LRRK2APP
SCHEMBL2289469 0.79 MAPT (0.44) TP53GAAMAPTSMN1; SMN2
SCHEMBL28842738 0.76 MAP3K5 (0.52) MAP3K5CYP11B1CYP11B2LRRK2APP
SCHEMBL2291165 0.75 MAPT (0.41) SRCTP53GAAMAPTSMN1; SMN2
SCHEMBL2285933 0.70 NPC1 (0.45) TP53GAAMAPTSMN1; SMN2
SCHEMBL14427902 0.70 CYP11B1 (0.57) MAP3K5CYP11B1CYP11B2APPALDH1A3
SCHEMBL2291938 0.69 MAPT (0.38) TP53GAAMAPTSMN1; SMN2
SCHEMBL2295452 0.65 SRC (0.44) SRCTP53GAAMAPTSMN1; SMN2
SCHEMBL1318544 0.65 MAP3K5 (0.61) MAP3K5LRRK2ABL1
SCHEMBL14647252 0.65 MAP3K5 (0.54) MAP3K5CYP11B1CYP11B2LRRK2APP

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.

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