SCHEMBL5366405

SCHEMBL5366405

COC(=O)c1ccc(Cn2c(=Nc3ccc(O)cc3)n(C)c3cc(Cl)c(Cl)cc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 11/20 0.54
▸ DCTPP1 Q9H773 1/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL5366398 1.00 GCGR (0.54) GCGRDCTPP1CA1CA2CA12
SCHEMBL5365191 0.91 GCGR (0.57) GCGRDCTPP1CA1CA2ALDH1A1
SCHEMBL5365195 0.91 GCGR (0.57) GCGRDCTPP1CA1CA2ALDH1A1
SCHEMBL5368388 0.87 GCGR (0.55) GCGRALDH1A1MAPT
SCHEMBL5368392 0.87 GCGR (0.55) GCGRALDH1A1MAPT
SCHEMBL5446975 0.85 GCGR (0.53) GCGRDCTPP1
SCHEMBL5446974 0.85 GCGR (0.53) GCGRDCTPP1
SCHEMBL14387850 0.83 GCGR (0.45) GCGRDCTPP1ALDH1A1CYP1A2CYP3A4
SCHEMBL5360803 0.81 GCGR (0.58) GCGR
SCHEMBL5360807 0.81 GCGR (0.58) GCGR

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-7301036-B2 Cyclic guanidines, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-11-27 — — US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 — — 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-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG GCGR 1/4885DCTPP1 1701/4885CA1 2959/4885

“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.

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