SCHEMBL2653530

SCHEMBL2653530

Fc1ccc(-c2cnnc(Cl)c2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.42
CYP11B2 P19099 4/20 0.41
CYP11B1 P15538 3/20 0.41
GRIN2B Q13224 8/20 0.40
PIK3CD O00329 1/20 0.40
NOTUM Q6P988 1/20 0.39
KMO O15229 2/20 0.39
GRIN1 Q05586 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39

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
SCHEMBL31030963 0.77 MPL (0.55) MPLKMO
SCHEMBL4717600 0.77 KIF11 (0.47)
SCHEMBL30530583 0.74 CYP11B2 (0.46) CYP11B2CYP11B1NOTUM
SCHEMBL1691594 0.74 CYP11B2 (0.46) CYP11B2CYP11B1NOTUM
SCHEMBL24196370 0.74 ALDH1A1 (0.38) CYP11B2CYP11B1PIK3CD
SCHEMBL10536955 0.74 AHR (0.41) CYP11B2CYP11B1NOTUM
SCHEMBL2651621 0.74 GABRG2 (0.70) MPLGRIN2BKMOGRIN1
SCHEMBL10538552 0.73 NOTUM (0.49) GRIN2BNOTUMGRIN1
SCHEMBL11625104 0.73 MPL (0.50) MPLCYP11B2CYP11B1NOTUMKMO
SCHEMBL5918385 0.72 NOTUM (0.33) CYP11B2CYP11B1PIK3CDNOTUM

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 MPL 3265/4885CYP11B2 384/4885CYP11B1 547/4885

“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.