SCHEMBL3086944

SCHEMBL3086944

COc1ccc(Cl)cc1CCNC(=O)c1nc(N)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.49
ABCB1 P08183 1/20 0.47
KMT2A Q03164 2/20 0.47
APP P05067 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
ADORA2A P29274 4/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2B P29275 1/20 0.46
SNCA P37840 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 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
SCHEMBL16628751 0.88 CACNA1B (0.56) ADORA3KMT2ACACNA1BAPBA1ADORA2A
SCHEMBL29246641 0.81 GAA (0.60) KMT2AGAAMAPTSNCANPC1
SCHEMBL3086939 0.80 NPC1 (0.53) ADORA3KMT2AAPPNPC1RAB9A
SCHEMBL16628820 0.78 ADORA3 (0.68) ADORA3KMT2AAPPCACNA1BAPBA1
SCHEMBL16628808 0.78 ADORA2A (0.55) ADORA3ADORA2AMAPTADORA1ADORA2B
SCHEMBL16628794 0.78 ADORA3 (0.58) ADORA3KMT2AAPPADORA2AMAPT
SCHEMBL3081056 0.77 ADORA2A (0.70) ADORA3APPADORA2AMAPTADORA1
SCHEMBL16628837 0.76 ADORA3 (0.58) ADORA3KMT2AADORA2AGAAMAPT
SCHEMBL3089577 0.76 ADORA2A (0.65) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3087918 0.75 ADORA3 (0.62) ADORA3APPADORA2AGAAADORA1

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
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP claimed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US claimed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed

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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P ADORA3 3301/4885ABCB1 82/4885KMT2A 3779/4885

“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.