SCHEMBL16719635

SCHEMBL16719635

[c]1ccn(-c2ccncc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
CHKA P35790 1/20 0.35
BCHE P06276 1/20 0.34
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ADRB2 P07550 1/20 0.32
NCF1 P14598 1/20 0.32
PLD1 Q13393 1/20 0.32
NOTUM Q6P988 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2B Q92831 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL344002 0.78 NOTUM (0.48) FLT3GSK3BNOTUMLMNAMAPT
SCHEMBL6650803 0.77 MAPT (0.42) LMNAMAPTKDM4EALDH1A1HPGD
SCHEMBL7229166 0.77 NOTUM (0.47) FLT3NOTUMLMNAMAPTKDM4E
SCHEMBL1896258 0.77 NOTUM (0.47) FLT3NOTUMLMNAMAPTKDM4E
SCHEMBL17710270 0.70 MGLL (0.42) MAOAMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2753713 0.69 RXRA (0.36) LMNAMAPTKAT2B
SCHEMBL28011574 0.69 RXRA (0.40) MAOAMAPTKDM4EALDH1A1L3MBTL1
SCHEMBL6683072 0.68 HTR1A (0.37)
SCHEMBL2751668 0.64 AR (0.41) NOTUMALDH1A1
SCHEMBL4473412 0.64 NOTUM (0.63) CHKANOTUMLMNAMAPTKDM4E

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
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US claimed
CN-105408322-B Terazololine-one compound and application thereof 住友化学株式会社 2019-04-19 CN disclosed
EP-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed
US-9781933-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-10 US disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
US-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-23 US disclosed
EP-3029038-A1 TETRAZOLINONE COMPOUND AND USE THEREOF Sumitomo Chemical Company Limited (JP) 2016-06-08 EP disclosed
CN-105408322-A Tetrazolinone compound and use thereof SUMITOMO CHEMICAL CO 2016-03-16 CN disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 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 (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-20160174558-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MT-CO1, KCNA5, MT-CO2 MAOA 961/4885CHKA 3934/4885BCHE 3248/4885

“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.