SCHEMBL2894411

SCHEMBL2894411

N#Cc1c(NC(=O)C2CC2c2ccccc2)sc2c1CCN(C(=O)NCc1cccnc1)C2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
STAT3 P40763 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DGAT2 Q96PD7 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 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
SCHEMBL2893594 0.93 MEN1 (0.48) GRM1MEN1KMT2ASTAT3L3MBTL1
SCHEMBL2891476 0.92 GRM1 (0.51) GRM1MEN1KMT2ASTAT3L3MBTL1
SCHEMBL2893535 0.90 MEN1 (0.51) GRM1MEN1KMT2ASTAT3DGAT2
SCHEMBL4960146 0.90 MEN1 (0.53) GRM1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL4960199 0.88 MEN1 (0.49) GRM1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL2891839 0.88 GRM1 (0.47) GRM1MEN1KMT2ASTAT3
SCHEMBL2887655 0.87 STAT3 (0.49) GRM1MEN1KMT2ASTAT3L3MBTL1
SCHEMBL2888074 0.86 MEN1 (0.48) GRM1MEN1KMT2ASTAT3L3MBTL1
SCHEMBL2893352 0.84 MEN1 (0.57) GRM1MEN1KMT2ASTAT3L3MBTL1
SCHEMBL2895482 0.83 MEN1 (0.49) GRM1MEN1KMT2ASTAT3DGAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2923/4885MEN1 4556/4885KMT2A 2606/4885

“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.