SCHEMBL10134760

SCHEMBL10134760

CCNC(=O)c1cc(C)nnc1-c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.46
HCRTR1 O43613 7/20 0.45
HCRTR2 O43614 7/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
HDAC2 Q92769 1/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL10134750 0.84 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL12024791 0.82 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL12359373 0.81 POLQ (0.47) PDE2AHCRTR1HCRTR2MKNK1MKNK2
SCHEMBL13443055 0.79 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL10134744 0.79 PDE2A (0.52) PDE2AMKNK1MKNK2
SCHEMBL12391550 0.77 MKNK1 (0.54) PDE2AMKNK1MKNK2ABL1
SCHEMBL12391556 0.77 CYP2A6 (0.48) PDE2AMKNK1MKNK2
SCHEMBL12024786 0.77 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL12359369 0.76 CYP2A6 (0.47) PDE2AMKNK1MKNK2
SCHEMBL12024774 0.76 PDE2A (0.49) PDE2AHCRTR1HCRTR2MKNK1MKNK2

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-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

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 PDE2A 2326/4885HCRTR1 2/4885HCRTR2 1/4885

“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.