SCHEMBL6722240

SCHEMBL6722240

COc1ccc(-c2ncc(N)nc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
ADORA1 P30542 1/20 0.47
DYRK1A Q13627 2/20 0.47
DHFR P00374 1/20 0.46
ADORA2A P29274 1/20 0.45
MAPT P10636 3/20 0.45
SRC P12931 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CD O00329 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
HCK P08631 1/20 0.45
KDR P35968 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45

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
SCHEMBL11375323 0.85 KMT2A (0.54) KMT2AADORA1DYRK1AADORA2AMAPT
SCHEMBL6700778 0.80 KMT2A (0.54) KMT2AADORA1DYRK1ADHFRADORA2A
SCHEMBL20522349 0.77 KDM4E (0.54) KMT2AADORA1DYRK1AADORA2AMAPT
SCHEMBL30610423 0.77 KDM4E (0.54) KMT2AADORA1DYRK1AADORA2AMAPT
SCHEMBL10399574 0.76 CSNK1A1 (0.52) ADORA1DHFRADORA2AMAPTSRC
SCHEMBL2415584 0.75 SCN2A (0.51) KMT2AMAPTALDH1A1KDM4ENPC1
SCHEMBL6700344 0.75 ATR (0.54) KMT2AADORA1DYRK1AMAPTALDH1A1
SCHEMBL1122200 0.73 FYN (0.53) KMT2AADORA1DHFRADORA2ASRC
SCHEMBL17963929 0.73 PLAU (0.48) DYRK1AKDM4ENPC1RAB9A
SCHEMBL21852751 0.72 ALDH1A1 (0.67) KMT2AADORA1ADORA2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics UNIVERSITY CATHOLIQUE DE LOUVAIN (BE) 2004-02-19 US disclosed
EP-1292580-A1 PYRAZINE AND IMIDAZOPYRAZINE DERIVATIVES AS ANTIOXIDANTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-19 EP disclosed
WO-2001087853-A1 ARYL-SUBSTITUTED N,N-HETEROCYCLIC COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN THERAPEUTICS AND DIAGNOSTICS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-11-22 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-20040034225-A1 Aryl-substituted n, n-heterocyclic compounds, method for their preparationand their use in therapeutics and diagnostics NOX5, NOX4, CD22 KMT2A 4602/4885ADORA1 1806/4885DYRK1A 3882/4885

“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.