SCHEMBL6401853

SCHEMBL6401853

COc1ccc(COc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.50
MAOB P27338 1/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
PDE2A O00408 1/20 0.44
MAPT P10636 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL24738071 0.97 APP (0.50) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL14958421 0.87 APP (0.58) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL23277161 0.85 SMN1; SMN2 (0.50) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL24737347 0.85 APP (0.49) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL17563554 0.82 MAOB (0.47) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL16253510 0.81 MAOB (0.56) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL31254878 0.80 PDE2A (0.46) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL24344482 0.79 L3MBTL1 (0.61) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL1276121 0.79 APP (0.46) APPMAOBIDO1AGXTSMN1; SMN2
SCHEMBL13326057 0.78 PDE4A (0.47) SMN1; SMN2ALDH1A1NPC1RAB9A

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
US-7718655-B2 Trisubstituted triazine compounds, and methods for making and using the compounds, which have antitubulin activity NEW YORK UNIVERSITY (US) 2010-05-18 US disclosed
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 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
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 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 APP 1823/4885MAOB 1125/4885IDO1 1503/4885
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.