SCHEMBL2291937

SCHEMBL2291937

Cc1cccc(C(C)C)c1Nc1cccn2ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.40
▸ CXCL8 P10145 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 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
SCHEMBL2289473 0.87 SRC (0.50) SRCMAPTGAAMAPK1KMT2A
SCHEMBL2285934 0.81 PTGS2 (0.44) SRCCXCL8RAPGEF4
SCHEMBL2605414 0.76 NUDT1 (0.41) CYP1A2CYP3A4L3MBTL1PIK3CG
SCHEMBL259019 0.71 L3MBTL1 (0.48) SRCMAPTGAAMAPK1L3MBTL1
SCHEMBL20696785 0.70 IDO1 (0.41) PDE1APDE1BPDE1CL3MBTL1TDP1
SCHEMBL2291938 0.70 MAPT (0.38) MAPTGAAMAPK1KMT2ACYP1A2
SCHEMBL4804825 0.70 CXCL8 (0.44) CXCL8MAPTMAPK1MEN1KMT2A
SCHEMBL2295452 0.69 SRC (0.44) SRCMAPTGAARAPGEF4CYP1A2
SCHEMBL325223 0.68 NUDT1 (0.42) MAPTL3MBTL1TDP1
SCHEMBL21285289 0.68 NUDT1 (0.36) PDE1APDE1BPDE1CL3MBTL1

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 SRC 1265/4885CXCL8 4214/4885MAPT 1138/4885

“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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