SCHEMBL3662633

SCHEMBL3662633

O=C(O)NC1Cc2cc(Cl)c3[nH]ncc3c2CNC1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 13/20 0.41
▸ PYGL P06737 1/20 0.33
▸ PYGM P11217 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ RPS6KB1 P23443 2/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ RPS6KA1 Q15418 2/20 0.32
▸ FSCN1 Q16658 1/20 0.30

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
SCHEMBL3627780 0.88 CALCRL (0.39) CALCRLCYP3A4
SCHEMBL13015203 0.86 CALCRL (0.41) CALCRLCYP3A4
SCHEMBL13987070 0.82 CALCRL (0.34) CALCRLCYP3A4
SCHEMBL13015199 0.79 CALCRL (0.33) CALCRLCYP3A4
SCHEMBL3783469 0.78 CALCRL (0.34) CALCRLCYP3A4RPS6KB1ROCK1RPS6KA1
SCHEMBL13987068 0.76 CALCRL (0.39) CALCRLCYP3A4
SCHEMBL2213978 0.76 CALCRL (0.55) CALCRLCYP3A4
SCHEMBL15663868 0.76 CALCRL (0.55) CALCRLCYP3A4
SCHEMBL13015201 0.75 CALCRL (0.39) CALCRLCYP3A4
SCHEMBL3627128 0.72 CALCRL (0.41) CALCRLCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 — — US disclosed
US-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-23 — — US disclosed
EP-2254413-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-12-01 — — EP disclosed
WO-2009105348-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2009-08-27 — — 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-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, CALCRL CALCRL 3/4885PYGL 4462/4885PYGM 4419/4885

“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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