SCHEMBL9953587

SCHEMBL9953587

COc1ccc(-c2c(-c3ccccc3C#N)cnn(C(C)c3ccccc3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAT2A P31153 2/20 0.41
NPBWR1 P48145 4/20 0.40
MCHR1 Q99705 1/20 0.40
CCNE2 O96020 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9954346 0.86 ALDH1A1 (0.39) HTTHPGDFAAH
SCHEMBL9954382 0.86 NPBWR1 (0.44) NPBWR1MCHR1CCNE2CDK4CCND1
SCHEMBL10036424 0.85 NPBWR1 (0.40) NPSR1L3MBTL1NPBWR1CCNE2CDK4
SCHEMBL9953640 0.83 NPBWR1 (0.41) PPARGHTTNCOA2NCOA1NPSR1
SCHEMBL16735445 0.80 NPBWR1 (0.45) NPSR1L3MBTL1NPBWR1CCNE2CDK4
SCHEMBL16748380 0.79 MAT2A (0.36) PPARGHTTNCOA2NCOA1NPSR1
SCHEMBL16735444 0.79 NPBWR1 (0.46) NPSR1L3MBTL1MAT2ANPBWR1CCNE2
SCHEMBL9955165 0.79 CREBBP (0.37) HTTNPBWR1HPGDFAAH
SCHEMBL10035974 0.78 NPBWR1 (0.41) NPBWR1MCHR1FAAH
SCHEMBL15305627 0.75 PTGS2 (0.48) FAAH

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 15 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 claimed
US-8993569-B2 Diarylpyridazinone derivatives, preparation thereof, and use thereof for the treatment of humans PIERRE FABRE MEDICAMENT (FR) 2015-03-31 US claimed
EP-2654752-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS Pierre Fabre Medicament (FR) 2013-10-30 EP claimed
US-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2013-10-10 US claimed
WO-2012085001-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2012-06-28 WO claimed
EP-2654752-B1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PF MEDICAMENT (FR) 2015-05-27 EP disclosed
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
US-8993569-B2 Diarylpyridazinone derivatives, preparation thereof, and use thereof for the treatment of humans PIERRE FABRE MEDICAMENT (FR) 2015-03-31 US 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
US-20130267520-A1 DIARYLPYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF FOR THE TREATMENT OF HUMANS PIERRE FABRE MEDICAMENT (FR) 2013-10-10 US 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 PPARG 4091/4885HTT 2299/4885NCOA2 4514/4885

“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.