SCHEMBL459127

SCHEMBL459127

Cc1[c]cc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.46
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAP4K4 O95819 1/20 0.37
SCN2A Q99250 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
COMT P21964 1/20 0.36
THRB P10828 1/20 0.36
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35

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
SCHEMBL455369 0.79 KIF11 (0.42) KIF11LMNAKDM4EALDH1A1CYP1A2
SCHEMBL791025 0.77 AGBL2 (0.36) KDM4EALDH1A1HPGD
SCHEMBL458927 0.77 NPSR1 (0.44) LMNAALDH1A1CYP1A2MAP4K4
SCHEMBL456680 0.77 NPC1 (0.43) LMNAKDM4EALDH1A1HPGDNFKB1
SCHEMBL1549633 0.76 KIF11 (0.54) KIF11LMNAKDM4EALDH1A1CYP1A2
SCHEMBL456032 0.76 RAB9A (0.45) ALDH1A1NFKB1
SCHEMBL15063822 0.74 KIF11 (0.48) KIF11LMNAKDM4EALDH1A1CYP1A2
SCHEMBL4412958 0.74 KIF11 (0.52) KIF11LMNAKDM4EALDH1A1CYP1A2
SCHEMBL457332 0.72 KIF11 (0.41) KIF11LMNAKDM4EALDH1A1CYP1A2
SCHEMBL456889 0.71 KDM1A (0.42) KIF11LMNAKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KIF11 2572/4885LMNA 1124/4885KDM4E 1552/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 KIF11 2572/4885LMNA 1124/4885KDM4E 1552/4885

“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.