SCHEMBL456853

SCHEMBL456853

CCc1[c]cc(-c2ccc(C(F)(F)F)cc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KIF11 P52732 6/20 0.38
MAOB P27338 1/20 0.38
TLR8 Q9NR97 1/20 0.37
CASP1 P29466 1/20 0.37
LTA4H P09960 1/20 0.35
TRPV3 Q8NET8 3/20 0.35
F2RL3 Q96RI0 1/20 0.35
PTGS2 P35354 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL458206 0.79 NPC1 (0.36) MAOBCASP1
SCHEMBL457332 0.79 KIF11 (0.41) CTSSCTSKKIF11MAOBCASP1
SCHEMBL455369 0.75 KIF11 (0.42) HEXAHEXBKIF11MAOBTEK
SCHEMBL456731 0.74 KDM1A (0.40) HEXAHEXBCTSSCTSKKIF11
SCHEMBL456033 0.71 HEXA (0.38) HEXAHEXBCTSSCTSKKIF11
SCHEMBL456889 0.68 KDM1A (0.42) KIF11MAOB
SCHEMBL15063724 0.67 KIF11 (0.44) HEXAHEXBCTSSCTSKKIF11
SCHEMBL2615845 0.66 KIF11 (0.45) KIF11MAOBCASP1TRPV3PTGS2
SCHEMBL17599658 0.66 HEXA (0.41) HEXAHEXBCTSSCTSKKIF11
SCHEMBL14872140 0.65 NPC1 (0.50) KIF11MAOBCASP1MKNK1MKNK2

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 HEXA 2932/4885HEXB 2506/4885CTSS 3888/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 HEXA 2932/4885HEXB 2506/4885CTSS 3888/4885

“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.