SCHEMBL1934836

SCHEMBL1934836

N#Cc1cc(-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.60
KDM4E B2RXH2 1/20 0.51
CTSK P43235 4/20 0.46
MYC P01106 1/20 0.46
EPHX2 P34913 1/20 0.45
KMO O15229 1/20 0.45
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
TGFBR1 P36897 1/20 0.43
SCN2A Q99250 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.42
SYK P43405 1/20 0.42
TDO2 P48775 1/20 0.42

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
SCHEMBL28042892 0.84 MYC (0.55) CTSSCTSKMYCSYK
SCHEMBL2334808 0.81 NOS3 (0.52) CTSSKDM4EMYC
SCHEMBL29775960 0.81 NOS3 (0.52) CTSSKDM4EMYC
SCHEMBL17116812 0.81 MYC (0.54) MYCSYK
SCHEMBL4537212 0.81 GRM5 (0.47) CTSSKDM4ECTSKRAB9A
SCHEMBL6241092 0.80 CTSS (0.58) CTSSKDM4ECTSKGRIN1GRIN2B
SCHEMBL31133396 0.79 MYC (0.62) MYCKMO
SCHEMBL9792895 0.79 MYC (0.62) MYCKMO
SCHEMBL4541011 0.79 AKR1B1 (0.46) CTSSKDM4E
SCHEMBL3164807 0.78 TGFBR1 (0.54) CTSSKDM4EEPHX2KMOTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 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 (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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 CTSS 3073/4885KDM4E 624/4885CTSK 3673/4885

“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.