SCHEMBL4209225

SCHEMBL4209225

N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)Cc1ccccn1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.59
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ ALDH1A1 P00352 10/20 0.55
▸ HPGD P15428 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ MAPK10 P53779 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ MAPT P10636 7/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ THRB P10828 1/20 0.54
▸ GRM1 Q13255 2/20 0.54
▸ GAA P10253 3/20 0.52
▸ BLM P54132 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TNNI3 P19429 1/20 0.51

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
SCHEMBL3421217 0.87 ALDH1A1 (0.57) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3434519 0.86 MEN1 (0.61) STAT3MEN1KMT2AALDH1A1MAPT
SCHEMBL13337855 0.86 STAT3 (0.60) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3423136 0.86 MEN1 (0.56) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3423140 0.86 MEN1 (0.56) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3351954 0.86 MEN1 (0.52) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3351943 0.86 MEN1 (0.52) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3418587 0.86 ALDH1A1 (0.56) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3421618 0.85 ALDH1A1 (0.63) STAT3MEN1KMT2AALDH1A1HPGD
SCHEMBL3432855 0.84 MEN1 (0.58) STAT3MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 — — US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 — — US disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 — — EP disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 — — US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 — — 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 (2 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-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES RB1, MCL1, CCAR2 STAT3 357/4885MEN1 3560/4885KMT2A 2457/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 STAT3 268/4885MEN1 3291/4885KMT2A 2718/4885

“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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