SCHEMBL9955165

SCHEMBL9955165

CC(c1ccccc1)n1ncc(-c2ccccc2C#N)c(Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.37
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
PLAT P00750 1/20 0.35
MET P08581 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA3 P42263 1/20 0.35
PDE4D Q08499 1/20 0.35
PIM1 P11309 1/20 0.34
FAAH O00519 1/20 0.34
HPGD P15428 1/20 0.34
P2RX7 Q99572 1/20 0.34
KAT2B Q92831 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CTSA P10619 1/20 0.34

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 0.87 ALDH1A1 (0.39) CREBBPALDH1A1HTTPLATMET
SCHEMBL9954533 0.80 KCNA5 (0.42) CREBBPPLATGABRA1GABRG2GABRB3
SCHEMBL9953587 0.79 PPARG (0.41) HTTFAAHHPGDNPBWR1
SCHEMBL9954004 0.76 RAB9A (0.51) CREBBPALDH1A1HTTFAAHP2RX7
SCHEMBL10036282 0.76 RAB9A (0.51) CREBBPALDH1A1HTTFAAHP2RX7
SCHEMBL9953649 0.76 RAB9A (0.51) CREBBPALDH1A1HTTFAAHP2RX7
SCHEMBL9954364 0.76 ATM (0.42) CREBBPALDH1A1METFAAHKAT2B
SCHEMBL4758468 0.70 KMT2A (0.43) ALDH1A1HTTHPGD
SCHEMBL9954288 0.69 OPRM1 (0.42) CREBBPALDH1A1PLATGABRA1GABRG2
SCHEMBL15305627 0.69 PTGS2 (0.48) CREBBPMETFAAH

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 CREBBP 4462/4885MCL1 694/4885ALDH1A1 839/4885

“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.