SCHEMBL4775702

SCHEMBL4775702

COc1cccc(C2CC2C(=O)Nc2sc3c(c2C#N)CCN(C(=O)CCc2ccncc2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
GRM1 Q13255 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GRM5 P41594 3/20 0.44
STAT3 P40763 2/20 0.43
DGAT2 Q96PD7 1/20 0.43
MAPK10 P53779 2/20 0.42
MAPK9 P45984 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CASP6 P55212 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4773187 0.93 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL4767886 0.93 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2895339 0.91 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL4777490 0.90 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL4962340 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL4773271 0.89 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL2893932 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL4775622 0.89 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL13239805 0.88 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTGRM1
SCHEMBL4767801 0.88 MEN1 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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.