SCHEMBL1351776

SCHEMBL1351776

O=c1[nH]c2nc(SCc3ccccc3)ncc2cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ METAP2 P50579 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ DAO P14920 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CTSB P07858 3/20 0.41
▸ XDH P47989 1/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM4A O75164 1/20 0.41

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
SCHEMBL20564939 0.82 MEN1 (0.51) KMT2AMEN1MAPT
SCHEMBL27266346 0.75 SRC (0.44) KMT2A
SCHEMBL29593402 0.74 MAPK14 (0.52) KMT2AMEN1PPARGNCOA2NCOA1
SCHEMBL5121127 0.74 MAPK14 (0.52) KMT2AMEN1PPARGNCOA2NCOA1
SCHEMBL1351674 0.72 CYP1A2 (0.43) KMT2AMEN1PPARGNCOA2NCOA1
SCHEMBL13038777 0.72 SYK (0.45) KMT2AMEN1
SCHEMBL26691786 0.71 CHEK1 (0.43) KMT2AMEN1SMN1; SMN2NPC1ALDH1A1
SCHEMBL4974907 0.71 CDC7 (0.50) KMT2AMEN1PPARGNCOA2NCOA1
SCHEMBL21990251 0.70 SIK2 (0.43) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL13554051 0.69 POLB (0.43) KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 — — EP disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 — — US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 — — 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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG KMT2A 1363/4885MEN1 1098/4885PPARG 4319/4885

“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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