SCHEMBL6700778

SCHEMBL6700778

COc1ccc(-c2nc(-c3ccc(OC)cc3)c(N)nc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
ADORA1 P30542 2/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ADORA2A P29274 2/20 0.51
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
DPP4 P27487 1/20 0.50
HRH2 P25021 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
DYRK1A Q13627 1/20 0.49

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
SCHEMBL21852751 0.84 ALDH1A1 (0.67) KMT2AADORA1ALDH1A1KDM4ETDP1
SCHEMBL14525866 0.82 ALDH1A1 (0.64) KMT2AADORA1ALDH1A1KDM4ETDP1
SCHEMBL6722240 0.80 KMT2A (0.55) KMT2AADORA1ALDH1A1KDM4ETDP1
SCHEMBL6700344 0.78 ATR (0.54) KMT2AADORA1ALDH1A1NPC1MAPT
SCHEMBL11372127 0.78 DHFR (0.73) KMT2AADORA1ALDH1A1KDM4ETDP1
SCHEMBL30610423 0.76 KDM4E (0.54) KMT2AADORA1ALDH1A1KDM4ETDP1
SCHEMBL20522349 0.76 KDM4E (0.54) KMT2AADORA1ALDH1A1KDM4ETDP1
SCHEMBL558439 0.76 ALDH1A1 (0.68) KMT2AADORA1ALDH1A1KDM4ELMNA
SCHEMBL11468071 0.76 ADORA2A (0.49) KMT2AADORA1ALDH1A1KDM4ETDP1
SCHEMBL4416122 0.76 ADORA1 (0.59) KMT2AADORA1ALDH1A1KDM4EADORA2A

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 1806/4885ALDH1A1 29/4885

“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.