SCHEMBL9071306

SCHEMBL9071306

COc1ccc2[nH]c(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.78
GIPR P48546 13/20 0.78
VIPR2 P41587 4/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2C8 P10632 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2B6 P20813 1/20 0.78
VIPR1 P32241 1/20 0.78
DUSP2 Q05923 1/20 0.78
GLP1R P43220 2/20 0.69
KCNH2 Q12809 1/20 0.64

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
SCHEMBL2667967 1.00 GCGR (0.78) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL3245274 0.92 GCGR (0.76) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL2659100 0.92 GCGR (0.76) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL13356630 0.89 GCGR (0.69) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL3250710 0.89 GCGR (0.69) GCGRGIPRVIPR2CYP1A2CYP3A4
Mk-0893 SCHEMBL2355321 0.88 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
Mk-0893 SCHEMBL29363684 0.88 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
Mk-0893 SCHEMBL675777 0.88 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL3256419 0.87 GCGR (0.76) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL9071367 0.87 GCGR (0.76) GCGRGIPRVIPR2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 US disclosed
WO-2006014618-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-02-09 WO 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-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885VIPR2 87/4885

“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.