SCHEMBL4963172

SCHEMBL4963172

N#Cc1c(NC(=O)C2CC2c2ccccc2)sc2c1CCN(C(=O)CCO)C2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPK10 P53779 2/20 0.50
MAPK9 P45984 1/20 0.50
GRM1 Q13255 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4963456 0.93 MEN1 (0.54) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL4777490 0.88 MEN1 (0.57) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL4962340 0.88 MEN1 (0.49) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL4961103 0.87 MEN1 (0.47) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL4775113 0.86 MAPK10 (0.48) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL4960968 0.86 MEN1 (0.55) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL4960199 0.86 MEN1 (0.49) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL4961780 0.86 MAPK10 (0.48) MEN1KMT2AMAPK10MAPK9GRM1
SCHEMBL3423197 0.85 L3MBTL1 (0.57) MEN1KMT2AGRM1L3MBTL1GAA
SCHEMBL13337738 0.85 MEN1 (0.50) MEN1KMT2AMAPK10MAPK9GRM1

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
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP claimed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO claimed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 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-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885MAPK10 1273/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885MAPK10 1331/4885

“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.