SCHEMBL3348696

SCHEMBL3348696

COc1ccc(OC)c(C=CC(=O)Nc2sc3c(c2C#N)CCNC3)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.78
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALDH1A1 P00352 7/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.44
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
NR0B1 P51843 1/20 0.43
JUN P05412 1/20 0.43
NFKB1 P19838 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
SCHEMBL3348691 1.00 TGFBR1 (0.78) TGFBR1MGAMGAASIMGAM2
SCHEMBL3349830 0.93 TGFBR1 (0.67) TGFBR1MGAMGAASIMGAM2
SCHEMBL3349833 0.93 TGFBR1 (0.67) TGFBR1MGAMGAASIMGAM2
SCHEMBL3354529 0.91 TGFBR1 (0.65) TGFBR1MGAMGAASIMGAM2
SCHEMBL3353245 0.91 TGFBR1 (0.67) TGFBR1MGAMGAASIMGAM2
SCHEMBL3353238 0.91 TGFBR1 (0.67) TGFBR1MGAMGAASIMGAM2
SCHEMBL3354523 0.91 TGFBR1 (0.65) TGFBR1MGAMGAASIMGAM2
SCHEMBL3352951 0.91 TGFBR1 (0.64) TGFBR1MGAMGAASIMGAM2
SCHEMBL3352944 0.91 TGFBR1 (0.64) TGFBR1MGAMGAASIMGAM2
SCHEMBL3352862 0.89 TGFBR1 (0.60) TGFBR1GAAALDH1A1KMT2AMEN1

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
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US disclosed
US-7723523-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-25 US disclosed
US-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2009-10-29 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 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-20090270378-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 TGFBR1 1266/4885MGAM 4800/4885GAA 4376/4885
US-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD TGFBR1 1294/4885MGAM 4817/4885GAA 4265/4885

“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.