SCHEMBL2643029

SCHEMBL2643029

CCC(CC)C(=O)Nc1sc(-c2nc(-c3ccccn3)no2)c(C)c1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.64
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
GRM5 P41594 5/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2643627 0.87 GCGR (0.68) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2642810 0.85 GCGR (0.67) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2643378 0.83 GCGR (0.63) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2643510 0.81 GCGR (0.73) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2643102 0.79 GCGR (0.71) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2642890 0.78 GCGR (1.00) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2643392 0.76 GCGR (0.75) GCGRLMNATSHRALDH1A1HSD17B10
SCHEMBL2642823 0.75 GCGR (0.71) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2643002 0.74 GCGR (1.00) GCGRADORA2AADORA1LMNATSHR
SCHEMBL2644279 0.74 GCGR (0.75) GCGRADORA2AADORA1LMNATSHR

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 8 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 claimed
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 US claimed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
US-7196106-B2 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2007-03-27 US disclosed
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
US-20040097552-A1 Cyanothiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2004-05-20 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 3/4885ADORA2A 518/4885ADORA1 273/4885

“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.