SCHEMBL3993937

SCHEMBL3993937

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 15/20 0.62
GRM5 P41594 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK9 P45984 1/20 0.48
MAPK10 P53779 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3920975 0.89 GRM1 (0.65) GRM1GRM5MEN1KMT2A
SCHEMBL3919736 0.88 GRM1 (0.62) GRM1GRM5MEN1KMT2AL3MBTL1
SCHEMBL3993933 0.84 MAPT (0.64) GRM1MEN1KMT2AMAPK9MAPK10
SCHEMBL4605262 0.82 MAPT (0.51) GRM1MEN1KMT2AMAPK9MAPK10
SCHEMBL3353901 0.81 MEN1 (0.47) GRM1MEN1KMT2AMAPK9MAPK10
SCHEMBL3353906 0.81 MEN1 (0.47) GRM1MEN1KMT2AMAPK9MAPK10
SCHEMBL3432823 0.80 MEN1 (0.59) GRM1MEN1KMT2AMAPK9MAPK10
SCHEMBL3421023 0.80 MEN1 (0.55) GRM1MEN1KMT2AMAPK9MAPK10
SCHEMBL3423881 0.79 MAPT (0.56) GRM1MEN1KMT2AMAPK9MAPK10
SCHEMBL3420006 0.79 MEN1 (0.56) GRM1MEN1KMT2AMAPK9MAPK10

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 4 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
EP-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP 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 2669/4885GRM5 3184/4885MEN1 4263/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 GRM1 2768/4885GRM5 3228/4885MEN1 4017/4885

“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.