SCHEMBL2355006

SCHEMBL2355006

Cc1n[nH]c(=O)c(-c2cc(F)c(F)cc2F)c1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
IKBKB O14920 1/20 0.38
MAP3K14 Q99558 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALOX12 P18054 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
DRD1 P21728 2/20 0.36

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
SCHEMBL2351989 0.88 PSD (0.40) IKBKBMAP3K14MEN1CYP1A2CYP3A4
SCHEMBL2347927 0.87 PSD (0.39) IKBKBMAP3K14MEN1CYP1A2CYP3A4
SCHEMBL2353154 0.84 APEX1 (0.44) IKBKBMAP3K14MAPTGAANOTUM
SCHEMBL2350537 0.84 PSD (0.36) IKBKBMAP3K14MEN1CYP1A2CYP3A4
SCHEMBL2350128 0.83 IKBKB (0.39) IKBKBMAP3K14MEN1CYP1A2CYP3A4
SCHEMBL2351987 0.82 IKBKB (0.41) IKBKBMAP3K14MEN1CYP1A2CYP3A4
SCHEMBL2347368 0.82 CYP11B1 (0.39) IKBKBMAP3K14MEN1MAPTHTT
SCHEMBL2351250 0.81 NPC1 (0.40) IKBKBMAP3K14MEN1CYP1A2CYP3A4
SCHEMBL2355412 0.80 IKBKB (0.39) IKBKBMAP3K14DRD1NOTUMPSD
SCHEMBL896179 0.80 GRIN2D (0.41) IKBKBMAP3K14MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008512-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-30 US disclosed
US-8008512-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-30 US disclosed
US-8008512-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-30 US disclosed
US-20090281337-A1 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2009-11-12 US disclosed
US-20090281337-A1 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2009-11-12 US disclosed
US-20090281337-A1 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2009-11-12 US disclosed
US-7569518-B2 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-04 US disclosed
US-7569518-B2 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-04 US disclosed
US-7569518-B2 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-04 US disclosed
EP-1767529-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2009-05-06 EP disclosed
US-20080194566-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-08-14 US disclosed
US-20080194566-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-08-14 US disclosed
US-20080194566-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-08-14 US disclosed
EP-1767529-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP 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 (2 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-20080194566-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, CYP4Z1 KCNQ3 3146/4885KCNQ2 1805/4885IKBKB 3721/4885
US-20090281337-A1 Pyridazine compound and use thereof PLPBP, PNPO, CYP4Z1 KCNQ3 3146/4885KCNQ2 1805/4885IKBKB 3721/4885

“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.