SCHEMBL2892816

SCHEMBL2892816

C[C@@H](CC(=O)Nc1sc2c(c1C#N)CCNC2)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
POLB P06746 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.44
OPRK1 P41145 1/20 0.44
ESR2 Q92731 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2892812 1.00 MAPT (0.50) MAPTLMNAGAAPOLBMEN1
SCHEMBL3422983 0.89 ALDH1A1 (0.49) MAPTLMNAGAAPOLBMEN1
SCHEMBL3422988 0.89 ALDH1A1 (0.49) MAPTLMNAGAAPOLBMEN1
SCHEMBL2887690 0.89 ALDH1A1 (0.47) MAPTPOLBMEN1KMT2AESR2
SCHEMBL2887687 0.89 ALDH1A1 (0.47) MAPTPOLBMEN1KMT2AESR2
SCHEMBL3420630 0.85 RAB9A (0.51) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL3420625 0.85 RAB9A (0.51) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL3421573 0.84 LMNA (0.43) MAPTLMNAPOLBALDH1A1SMN1; SMN2
SCHEMBL3422162 0.84 RAB9A (0.42) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL3421574 0.84 LMNA (0.43) MAPTLMNAPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2009-09-10 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 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 (5 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 1389/4885LMNA 3689/4885GAA 4376/4885
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 MAPT 884/4885LMNA 3583/4885GAA 3183/4885
US-20090227577-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNO, CCNY, CCNT1 MAPT 3559/4885LMNA 2316/4885GAA 3566/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 MAPT 3705/4885LMNA 2835/4885GAA 3288/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPT 1276/4885LMNA 3874/4885GAA 4321/4885

“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.