SCHEMBL2652153

SCHEMBL2652153

O=c1cc(-c2ccc(F)c(C(F)(F)F)c2)cn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
GRIN1 Q05586 6/20 0.44
GRIN2B Q13224 6/20 0.44
TRPA1 O75762 4/20 0.44
PIK3CA P42336 1/20 0.43
MPL P40238 2/20 0.41
KMO O15229 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL1722753 0.78 KIF11 (0.46) PIK3CA
SCHEMBL31030963 0.76 MPL (0.55) PDE3BPDE3AMPLKMO
SCHEMBL29901554 0.75 GRIN2B (0.52) GRIN1GRIN2BTRPA1PIK3CATRPM8
SCHEMBL1691424 0.75 HTR3A (0.45) TRPA1PIK3CA
SCHEMBL10536966 0.74 IDO1 (0.51) GRIN1GRIN2B
SCHEMBL1769907 0.73 KDR (0.50) PDE3BPDE3AMPLKMO
SCHEMBL4718970 0.73 FEN1 (0.46) TRPA1PIK3CAMPL
SCHEMBL10537216 0.72 AOC3 (0.50) PIK3CA
SCHEMBL28513983 0.72 AXL (0.45)
SCHEMBL27750225 0.71 PDE3B (0.43) PDE3BPDE3AGRIN1GRIN2BTRPA1

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
EP-1532120-B1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2009-01-14 EP disclosed
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US disclosed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors GABRA5, GABRA2, GABRA3 PDE3B 507/4885PDE3A 472/4885GRIN1 89/4885

“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.