SCHEMBL2891395

SCHEMBL2891395

COc1ccccc1C1CC1C(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCc1ccncc1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.47
GRM5 P41594 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
STAT3 P40763 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL2893526 0.93 MEN1 (0.44) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL2891839 0.93 GRM1 (0.47) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL2890873 0.90 STAT3 (0.47) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL4775582 0.90 MEN1 (0.50) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL2894811 0.89 ALDH1A1 (0.47) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL4769342 0.89 MEN1 (0.45) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL2891476 0.88 GRM1 (0.51) GRM1MEN1KMT2ASTAT3
SCHEMBL2888242 0.87 MEN1 (0.44) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL2893932 0.86 MEN1 (0.52) GRM1GRM5MEN1KMT2ASTAT3
SCHEMBL2891257 0.86 STAT3 (0.46) GRM1GRM5MEN1KMT2ASTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US claimed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 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 (1 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 GRM1 2923/4885GRM5 3757/4885MEN1 4556/4885

“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.