SCHEMBL4850839

SCHEMBL4850839

CCCCC1=N[N]C=C1CCC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.33
HCAR2 Q8TDS4 2/20 0.33
NOS2 P35228 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL5601985 0.94 HCAR3 (0.33) HCAR3HCAR2NOS2HRH3
SCHEMBL5601594 0.86 ACHE (0.39) HCAR3HCAR2
SCHEMBL28016492 0.83 NOS2 (0.32) NOS2HRH3
SCHEMBL16911240 0.83
SCHEMBL5604150 0.77 NOS2 (0.32) HCAR3HCAR2NOS2HRH3
SCHEMBL5602018 0.71 KCNH2 (0.35) HCAR3HCAR2
SCHEMBL5600164 0.69 KCNH2 (0.38) HCAR2
SCHEMBL5603255 0.69 KCNH2 (0.38) HCAR2
SCHEMBL5600523 0.69 KCNH2 (0.38) HCAR2
SCHEMBL5600793 0.69 KCNH2 (0.38) HCAR2

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-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US claimed
EP-1689740-A1 PYRAZOLYL AND IMIDAZOLYL PYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-16 EP claimed
WO-2005054231-A1 PYRAZOLYL AND IMIDAZOLYL PYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 2005-06-16 WO claimed
US-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-05-26 US claimed
US-7414059-B2 Pyrazolyl and imidazolyl pyrimidines as CRF antagonists ROCHE PALO ALTO LLC (US) 2008-08-19 US disclosed
EP-1689740-A1 PYRAZOLYL AND IMIDAZOLYL PYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-16 EP disclosed
WO-2005054231-A1 PYRAZOLYL AND IMIDAZOLYL PYRIMIDINES F.HOFFMANN-LA ROCHE AG (CH) 2005-06-16 WO disclosed
US-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists ROCHE PALO ALTO LLC 2005-05-26 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-20050113382-A1 Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CRF antagonists AVPR2, CRHR1, CRHR2 HCAR3 290/4885HCAR2 144/4885NOS2 4091/4885

“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.