SCHEMBL7718443

SCHEMBL7718443

CN1CCc2c(sc(N)c2C#N)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
ALDH1A1 P00352 9/20 0.67
KDM4E B2RXH2 8/20 0.67
GAA P10253 8/20 0.67
MEN1 O00255 8/20 0.67
KMT2A Q03164 8/20 0.67
HPGD P15428 6/20 0.67
HSD17B10 Q99714 4/20 0.67
ALOX15 P16050 3/20 0.67
MAPK1 P28482 3/20 0.67
CASP1 P29466 2/20 0.67
CASP7 P55210 2/20 0.67
PTK2B Q14289 1/20 0.67
ESR2 Q92731 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
BPTF Q12830 3/20 0.63
GLA P06280 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
ADORA1 P30542 3/20 0.54
RAD52 P43351 1/20 0.54

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
SCHEMBL12908874 0.85 MAPT (0.59) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL25795537 0.80 L3MBTL1 (0.46) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL17194236 0.80 MAPT (1.00) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL17194349 0.80 ALDH1A1 (0.62) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL17194172 0.80 ALDH1A1 (1.00) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL3421133 0.78 BPTF (1.00) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL4035961 0.76 BPTF (0.78) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL2960241 0.76 BPTF (0.72) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL2960524 0.75 BPTF (0.70) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL13366491 0.74 BPTF (0.72) MAPTALDH1A1KDM4EGAAMEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111875615-A Methoxybenzyl urea compound and application thereof 济南大学 2020-11-03 CN claimed
CN-111875615-A Methoxybenzyl urea compound and application thereof 济南大学 2020-11-03 CN disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 US disclosed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 US disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 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 (10 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 MAPT 1389/4885ALDH1A1 566/4885KDM4E 1608/4885
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 MAPT 884/4885ALDH1A1 546/4885KDM4E 2213/4885
US-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD MAPT 2722/4885ALDH1A1 54/4885KDM4E 1051/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPT 1276/4885ALDH1A1 615/4885KDM4E 1697/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 MAPT 3705/4885ALDH1A1 467/4885KDM4E 2362/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD MAPT 1192/4885ALDH1A1 683/4885KDM4E 1628/4885
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer BCL2, BAX, MCL1 MAPT 1411/4885ALDH1A1 297/4885KDM4E 1672/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX MAPT 2223/4885ALDH1A1 576/4885KDM4E 2046/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 MAPT 1402/4885ALDH1A1 317/4885KDM4E 1813/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 MAPT 2055/4885ALDH1A1 412/4885KDM4E 2077/4885

“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.