SCHEMBL9954533

SCHEMBL9954533

CC(c1ccccc1)n1ncc(-c2cccc(C#N)c2)c(Cl)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.42
KCNH2 Q12809 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
CREBBP Q92793 1/20 0.41
MAPK1 P28482 1/20 0.40
MAOB P27338 1/20 0.39
BRD4 O60885 1/20 0.39
CFTR P13569 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1A P35348 2/20 0.38
ADRA2B P18089 1/20 0.38
PLAT P00750 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
BACE1 P56817 1/20 0.37
ADRA1B P35368 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KCNK3 O14649 1/20 0.37

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
SCHEMBL9954288 0.88 OPRM1 (0.42) KCNA5KCNH2OPRM1OPRK1CREBBP
SCHEMBL9953640 0.81 NPBWR1 (0.41) OPRM1OPRK1CREBBPMAPK1
SCHEMBL9955165 0.80 CREBBP (0.37) CREBBPPLATKDM5BGABRA1GABRG2
SCHEMBL9954364 0.77 ATM (0.42) CREBBP
SCHEMBL9953649 0.73 RAB9A (0.51) CREBBP
SCHEMBL10036282 0.73 RAB9A (0.51) CREBBP
SCHEMBL9954004 0.73 RAB9A (0.51) CREBBP
SCHEMBL16588906 0.72 USP2 (0.40) OPRM1OPRK1CREBBPMAPK1
SCHEMBL15305627 0.71 PTGS2 (0.48) CREBBP
SCHEMBL15305629 0.71 MET (0.43) CREBBPADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654752-B1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PF MEDICAMENT (FR) 2015-05-27 EP disclosed
US-8993569-B2 Diarylpyridazinone derivatives, preparation thereof, and use thereof for the treatment of humans PIERRE FABRE MEDICAMENT (FR) 2015-03-31 US disclosed
EP-2654752-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS Pierre Fabre Medicament (FR) 2013-10-30 EP disclosed
US-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2013-10-10 US disclosed
WO-2012085001-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2012-06-28 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-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS KCNA4, KCNK4, KCNQ4 KCNA5 9/4885KCNH2 11/4885OPRM1 1996/4885

“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.