SCHEMBL2960445

SCHEMBL2960445

COc1cccc([C@@H](C)CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)CCc2ccncc2)C3)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
GRM1 Q13255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GRM5 P41594 3/20 0.45
STAT3 P40763 2/20 0.45
MAPK10 P53779 2/20 0.44
MAPK9 P45984 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2960442 1.00 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2968614 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2968617 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2959923 0.93 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2959926 0.93 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2970168 0.93 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2970162 0.93 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL3347415 0.91 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL3347410 0.91 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL3423493 0.90 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US claimed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US claimed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US claimed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP claimed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO claimed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885ALDH1A1 632/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885ALDH1A1 615/4885

“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.