SCHEMBL895481

SCHEMBL895481

Cc1cc(Cl)nnc1-c1c(-c2ccc(Cl)cc2)c(C)n[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
IKBKB O14920 1/20 0.38
MAP3K14 Q99558 1/20 0.38
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
ALOX12 P18054 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GPR55 Q9Y2T6 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL895857 0.77 TRPV1 (0.44) IKBKBMAP3K14DRD1
SCHEMBL896712 0.77 GRIN2D (0.42) NOTUMIKBKBMAP3K14MAPTHTT
SCHEMBL896566 0.77 MAPT (0.36) IKBKBMAP3K14MAPTHTTKDM4E
SCHEMBL896296 0.76 DRD1 (0.39) NOTUMIKBKBMAP3K14MAPTHTT
SCHEMBL896179 0.76 GRIN2D (0.41) NOTUMIKBKBMAP3K14MAPTHTT
SCHEMBL2457386 0.75 PTGS1 (0.42) NOTUMIKBKBMAP3K14KDM4EMAPK1
SCHEMBL896388 0.75 DRD1 (0.40) NOTUMIKBKBMAP3K14MAPTHTT
SCHEMBL2454153 0.75 NOTUM (0.41) NOTUMIKBKBMAP3K14KDM4ELMNA
SCHEMBL896628 0.74 DRD1 (0.43) NOTUMIKBKBMAP3K14DRD1
SCHEMBL2350128 0.74 IKBKB (0.39) NOTUMIKBKBMAP3K14MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598176-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 US disclosed
CN-101326176-B Pyridazine compound and use thereof SUMITOMO CHEMICAL CO 2012-05-30 CN disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 US disclosed
EP-1958946-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-02-23 EP disclosed
EP-1958946-B1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-02-23 EP disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
US-20090275589-A1 Pyridazine Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-05 US disclosed
CN-101326176-A Pyridazine compound and use thereof SUMITOMO CHEMICAL CO (JP) 2008-12-17 CN disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK NOTUM 2043/4885IKBKB 2953/4885MAP3K14 1151/4885
US-20090275589-A1 Pyridazine Compound and Use Thereof PLPBP, PNPO, PDXK NOTUM 2043/4885IKBKB 2953/4885MAP3K14 1151/4885

“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.