SCHEMBL12479214

SCHEMBL12479214

Nc1cn(CCNc2ncc3ccccc3n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.47
FDPS P14324 1/20 0.45
PDE10A Q9Y233 1/20 0.42
PCSK9 Q8NBP7 1/20 0.40
MKNK1 Q9BUB5 9/20 0.36
MKNK2 Q9HBH9 8/20 0.36
ACVR1 Q04771 1/20 0.35
APP P05067 1/20 0.34
MAP3K5 Q99683 2/20 0.33
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
EGFR P00533 1/20 0.32
MAP3K7 O43318 1/20 0.32
MAP3K6 O95382 1/20 0.32

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
SCHEMBL12479173 0.77 HCRTR2 (0.47) HCRTR2FDPSPDE10APCSK9MKNK1
SCHEMBL16612709 0.73 HCRTR2 (0.48) HCRTR2PCSK9
SCHEMBL7683833 0.71 FDPS (0.56) FDPSPDE10APCSK9APPMAP3K5
SCHEMBL27857052 0.69 APP (0.57) FDPSPDE10APCSK9APPHRH4
SCHEMBL11477682 0.69 FDPS (0.57) FDPSPDE10APCSK9MKNK1MKNK2
SCHEMBL3337103 0.69 FDPS (0.53) FDPSPDE10APCSK9MKNK1MKNK2
SCHEMBL27485928 0.69 TLR8 (0.54) FDPSPDE10APCSK9EGFR
Hydrochloric Acid SCHEMBL10585056 0.68 APP (0.56) FDPSPDE10APCSK9APPHRH4
SCHEMBL2578318 0.68 FDPS (0.52) FDPSPDE10APCSK9
SCHEMBL28798228 0.68 PCSK9 (0.56) FDPSPDE10APCSK9MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303023-B2 Pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-04-05 US claimed
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP claimed
EP-2675801-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-12-25 EP claimed
US-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-05 US claimed
WO-2012110986-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-08-23 WO claimed
US-9303023-B2 Pyrazole and imidazole derivatives useful as orexin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-04-05 US disclosed
EP-2675801-B1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-04-08 EP disclosed
EP-2675801-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-12-25 EP disclosed
US-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-05 US disclosed
WO-2012110986-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-08-23 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-20130324579-A1 NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR2 1/4885FDPS 4573/4885PDE10A 1983/4885

“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.