SCHEMBL4946568

SCHEMBL4946568

COc1cc(NN)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
MAPT P10636 2/20 0.50
CYP3A4 P08684 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
PTGS2 P35354 1/20 0.46
LCK P06239 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 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
Hydrochloric Acid SCHEMBL28015515 0.98 ACHE (0.50) ACHEMAPTCYP3A4CA9MEN1
Formamide SCHEMBL28455655 0.90 ACHE (0.43) ACHEMAPTCYP3A4CA9MEN1
SCHEMBL30929822 0.87 ACHE (0.40) ACHEMAPTCYP3A4CA9MEN1
SCHEMBL30929836 0.80 TUBB4A (0.49) MAPTCYP3A4MEN1MAPK1KMT2A
SCHEMBL6577706 0.79 PKM (0.47) MAPTCYP3A4CA9KMT2APTGS2
SCHEMBL2097204 0.78 ACHE (0.54) ACHEMAPTCYP3A4CA9MEN1
SCHEMBL1651683 0.76 ACHE (0.52) ACHEMAPTCYP3A4CA9MEN1
SCHEMBL12850359 0.76 MAPT (0.56) ACHEMAPTCYP3A4CA9MEN1
Hydrochloric Acid SCHEMBL28007508 0.76 ACHE (0.52) ACHEMAPTCYP3A4CA9MEN1
SCHEMBL5361380 0.74 MAPT (0.50) ACHEMAPTCA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784061-B1 ACYL-HYDRAZONE AND OXADIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF UNIV FEDERAL SANTA CATARINA (BR) 2018-11-07 EP disclosed
EP-2125745-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLONE DERIVATIVES SANOFI SA (FR) 2017-02-22 EP disclosed
US-20150191445-A1 ACYL-HYDRAZONE AND OXADIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF UNIVERSIDADE FEDERAL DE SANTA CATARINA (BR) 2015-07-09 US disclosed
CN-104159887-A Acyl-hydrazone and oxadiazole compounds, pharmaceutical compositions containing them and their use UNIV FED DE SANTA CATARINA UFSC 2014-11-19 CN disclosed
EP-2784061-A1 ACYL-HYDRAZONE AND OXADIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF Universidade Federal De Santa Catarina (BR) 2014-10-01 EP disclosed
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP disclosed
EP-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 EP disclosed
US-7074789-B2 Kinase inhibitors AMGEN INC. (US) 2006-07-11 US disclosed
US-20040116388-A1 triazine compoound inhibitors of enzymes that catalyze phosphoryl transfer and/or that bind ATP/GTP nucleotides AMGEN INC. 2004-06-17 US disclosed
EP-1218360-A1 TRIAZINE KINASE INHIBITORS Amgen Inc., (US) 2002-07-03 EP disclosed
WO-2001025220-A1 TRIAZINE KINASE INHIBITORS AMGEN INC. (US) 2001-04-12 WO disclosed
US-4293553-A ANTITHROMBOTIC AGENT Ishikawa, Masayuki (JP) 1981-10-06 US 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-20150191445-A1 ACYL-HYDRAZONE AND OXADIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF MCL1, FKBP5, ACIN1 ACHE 4018/4885MAPT 2309/4885CYP3A4 441/4885

“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.