SCHEMBL2644097

SCHEMBL2644097

CCC(CC)C(=O)Nc1sc(N)c(C)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.55
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
BRAF P15056 1/20 0.40

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
SCHEMBL2648027 0.84 APOBEC3G (0.57) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2643107 0.83 GCGR (0.55) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2643566 0.83 GCGR (0.55) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2644163 0.83 APOBEC3G (0.56) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2644453 0.82 APOBEC3G (0.58) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2643253 0.82 GCGR (0.54) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2644096 0.81 APOBEC3G (0.67) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2642753 0.81 GCGR (0.53) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2
SCHEMBL2644114 0.80 GCGR (0.59) GCGRAPOBEC3GALDH1A1HPGDLMNA
SCHEMBL2643240 0.78 GCGR (0.55) GCGRAPOBEC3GALDH1A1HPGDSMN1; SMN2

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-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use GLP1R, GPR119, GCGR GCGR 3/4885APOBEC3G 4604/4885ALDH1A1 2652/4885

“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.