SCHEMBL2667899

SCHEMBL2667899

O=C(Nc1nnn[nH]1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 6/20 0.44
▸ GIPR P48546 6/20 0.44
▸ HDAC1 Q13547 5/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PRCP P42785 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ACKR3 P25106 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL2252405 0.89 GCGR (0.46) GCGRGIPRHDAC1KCNH2
SCHEMBL2667900 0.89 GCGR (0.59) GCGRGIPRKCNH2
SCHEMBL2253874 0.89 GCGR (0.42) GCGRGIPRKDM4EALDH1A1MAPT
SCHEMBL2253932 0.86 GCGR (0.48) GCGRGIPRHDAC1KCNH2
SCHEMBL13003191 0.85 GCGR (0.56) GCGRGIPRKCNH2
SCHEMBL13003505 0.81 GAA (0.53) GCGRGIPRPRCPDRD2DRD4
SCHEMBL2667902 0.81 GCGR (0.63) GCGRGIPRKCNH2
SCHEMBL13003086 0.79 GCGR (0.43) GCGRGIPRHDAC1HDAC4HDAC3
SCHEMBL9071559 0.79 GCGR (0.50) GCGRGIPRHDAC1MAPTKCNH2
SCHEMBL12360391 0.77 GCGR (0.59) GCGRGIPR

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-7989475-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 — — US disclosed
EP-1590336-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-12-01 — — EP disclosed
US-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2009-08-27 — — US disclosed
US-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 — — US disclosed
WO-2004069158-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-08-19 — — 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-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885HDAC1 1626/4885

“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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