SCHEMBL3920975

SCHEMBL3920975

CC(=O)N1CCc2c(sc(NCc3cccnc3)c2C#N)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 15/20 0.65
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
GRM5 P41594 1/20 0.54
NPC1 O15118 1/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
CASP6 P55212 1/20 0.53
PAX8 Q06710 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3993937 0.89 GRM1 (0.62) GRM1MEN1KMT2AGRM5
SCHEMBL3919736 0.89 GRM1 (0.62) GRM1MEN1KMT2AGRM5ALDH1A1
SCHEMBL3920972 0.82 MEN1 (0.70) MEN1KMT2ANPC1MITFALDH1A1
SCHEMBL2893352 0.77 MEN1 (0.57) GRM1MEN1KMT2AALDH1A1MAPT
SCHEMBL3420006 0.76 MEN1 (0.56) GRM1MEN1KMT2ALMNAMAPT
SCHEMBL3432855 0.76 MEN1 (0.58) GRM1MEN1KMT2ANPC1ALDH1A1
SCHEMBL3419993 0.76 L3MBTL1 (0.59) GRM1MEN1KMT2AALDH1A1LMNA
SCHEMBL3420071 0.76 MEN1 (0.55) GRM1MEN1KMT2ANPC1MITF
SCHEMBL2894025 0.76 MEN1 (0.55) GRM1MEN1KMT2A
SCHEMBL3432823 0.76 MEN1 (0.59) GRM1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 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-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer BCL2, BAX, MCL1 GRM1 2669/4885MEN1 4263/4885KMT2A 1863/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 GRM1 2768/4885MEN1 4017/4885KMT2A 1993/4885

“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.