SCHEMBL6313882

SCHEMBL6313882

COc1ccc(COc2ncncn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.53
MAOB P27338 1/20 0.51
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL31080534 0.83 NPC1 (0.61) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL14958421 0.82 APP (0.58) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL24317098 0.80 APP (0.51) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL20657625 0.80 APP (0.51) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL23281510 0.80 PDE2A (0.49) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL20657592 0.79 APP (0.50) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL23277161 0.78 SMN1; SMN2 (0.50) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL6397952 0.78 ALDH1A1 (0.56) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL27996147 0.78 APP (0.58) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL20000873 0.78 APP (0.80) APPMAOBIDO1AGXTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2781511-A1 HYDROXY GROUP PROTECTING AGENT AND HYDROXY GROUP PROTECTION METHOD National University Corporation Kanazawa University (JP) 2014-09-24 EP claimed
EP-1549645-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, Inc. (US) 2005-07-06 EP claimed
US-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-10 US claimed
WO-2004031184-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. (US) 2004-04-15 WO claimed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
EP-2781511-B1 HYDROXY GROUP PROTECTING AGENT AND HYDROXY GROUP PROTECTION METHOD UNIV NAT CORP KANAZAWA (JP) 2017-12-20 EP disclosed
EP-2781511-A1 HYDROXY GROUP PROTECTING AGENT AND HYDROXY GROUP PROTECTION METHOD National University Corporation Kanazawa University (JP) 2014-09-24 EP disclosed
US-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-10 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-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors TIE1, KDR, FLT1 APP 3720/4885MAOB 1492/4885IDO1 1093/4885

“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.