Sugi Predict

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SCHEMBL666604

SCHEMBL666604

COc1cncc(-c2cc(C(=O)N[C@H](C)c3ccc4ccccc4c3)c(N3CCOCC3)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ KIT P10721 2/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ AVPR1B P47901 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL667753 0.90 HCRTR2 (0.41) HCRTR2ROCK2ROCK1CNR2GSK3B
SCHEMBL668036 0.90 HCRTR2 (0.42) HCRTR2CNR2MEN1KMT2APDE2A
SCHEMBL667392 0.90 KCNK3 (0.41) KITCNR2PDE2AHPGDS
SCHEMBL666996 0.84 HCRTR2 (0.48) HCRTR2CNR2MEN1KMT2APDE2A
SCHEMBL667251 0.84 CNR2 (0.42) KITCNR2HPGDS
SCHEMBL10166151 0.83 HCRTR2 (0.57) HCRTR2AVPR1BGSK3BDYRK1APIK3R1
SCHEMBL668319 0.82 HCRTR2 (0.45) HCRTR2CNR2PDE2AHPGDS
SCHEMBL666511 0.81 LRRK2 (0.44) CNR2MEN1KMT2APIK3CAPHGDH
SCHEMBL666458 0.78 KDM4E (0.40) HCRTR2PDE2AHPGDS
SCHEMBL10166441 0.73 HCRTR2 (0.58) HCRTR2HCRTR1

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-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US claimed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 — — US claimed
EP-2349267-B1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 — — EP disclosed
EP-2349267-B1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-06-25 — — EP disclosed
US-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-8703770-B2 Pyridazine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-04-22 — — US disclosed
US-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2012-02-23 — — US disclosed
WO-2010051238-A1 PYRIDAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-05-06 — — 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-20120046289-A1 Pyridazine Carboxamide Orexin Receptor Antagonists HCRTR2, HCRTR1, NPY5R HCRTR2 1/4885ROCK2 3006/4885ROCK1 3527/4885

“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.