SCHEMBL3423458

SCHEMBL3423458

N#Cc1c(NC(=O)CCc2ccccc2)sc2c1CCN(C(=O)CCn1ccnc1)C2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
GRM1 Q13255 8/20 0.51
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL3423269 0.93 MEN1 (0.57) MEN1KMT2AL3MBTL1GRM1KDM4E
SCHEMBL3419078 0.89 MEN1 (0.53) MEN1KMT2AL3MBTL1GRM1KDM4E
SCHEMBL2960462 0.89 MEN1 (0.53) MEN1KMT2AL3MBTL1GRM1MAPK9
Hydrochloric Acid SCHEMBL2970183 0.89 MEN1 (0.52) MEN1KMT2AL3MBTL1GRM1MAPK9
Malonic Acid SCHEMBL2957935 0.88 MEN1 (0.51) MEN1KMT2AL3MBTL1GRM1MAPK9
SCHEMBL3422748 0.88 MAPK10 (0.46) MEN1KMT2AL3MBTL1GRM1MAPK9
SCHEMBL3423242 0.88 MEN1 (0.62) MEN1KMT2AL3MBTL1GRM1MAPK9
SCHEMBL2963395 0.88 MEN1 (0.48) MEN1KMT2AL3MBTL1MAPK9MAPK10
Fumaric Acid SCHEMBL2961911 0.87 GRM1 (0.49) MEN1KMT2AL3MBTL1GRM1MAPK9
Maleic Acid SCHEMBL2961906 0.87 GRM1 (0.49) MEN1KMT2AL3MBTL1GRM1MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US claimed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US claimed
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-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 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 2644/4885L3MBTL1 2416/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885L3MBTL1 2312/4885

“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.