SCHEMBL3420764

SCHEMBL3420764

Cn1ccnc1CCC(=O)N1CCc2c(sc(NC(=O)CCC3CCCCC3)c2C#N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13676727 0.85 MAPK10 (0.45) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3421620 0.85 MEN1 (0.57) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3420744 0.85 MEN1 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3423426 0.84 MAPK10 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL4508669 0.83 MAPK10 (0.48) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3421661 0.83 MAPK9 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3417721 0.82 MEN1 (0.47) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3419611 0.82 MEN1 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3415346 0.82 MEN1 (0.50) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2970378 0.81 MEN1 (0.48) MAPK10MAPK9MEN1KMT2AL3MBTL1

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 12 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-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — 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
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 — — US disclosed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 — — EP disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 — — 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 (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 MAPK10 1273/4885MAPK9 2218/4885MEN1 4691/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPK10 1331/4885MAPK9 2360/4885MEN1 4735/4885

“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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