SCHEMBL2291938

SCHEMBL2291938

Cc1cccc(C(C)C)c1Nc1cn2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ GAA P10253 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 6/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PKM P14618 2/20 0.34
▸ USP30 Q70CQ3 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
SCHEMBL2289469 0.88 MAPT (0.44) MAPTGAATP53KDM4EMAPK1
SCHEMBL2285933 0.82 NPC1 (0.45) MAPTGAATP53KDM4EMAPK1
SCHEMBL17962528 0.75 PTGS1 (0.50) MAPTGAATP53KDM4EALDH1A1
SCHEMBL11989037 0.71 PTGS1 (0.44) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL2291937 0.70 SRC (0.40) MAPTGAAMAPK1KMT2AL3MBTL1
SCHEMBL1495230 0.70 RAB9A (0.53) MAPTTP53KDM4EMAPK1ALDH1A1
SCHEMBL758877 0.69 PTGS1 (0.47) MAPTGAATP53KDM4EMAPK1
SCHEMBL2295454 0.69 MAP3K5 (0.45) MAPTGAATP53SMN1; SMN2
SCHEMBL19322159 0.68 KDM4E (0.54) MAPTGAATP53KDM4EMAPK1
SCHEMBL31478981 0.68 KDM4E (0.54) MAPTGAATP53KDM4EMAPK1

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 MAPT 1138/4885GAA 1202/4885TP53 4410/4885

“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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