SCHEMBL3086772

SCHEMBL3086772

CC(C)CNC(=O)c1nc(N)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.60
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ADORA2A P29274 8/20 0.55
ADORA1 P30542 6/20 0.55
ADORA2B P29275 1/20 0.55
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
APP P05067 1/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 2/20 0.46
HPGD P15428 1/20 0.46
NUDT1 P36639 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL3081770 0.87 ADORA3 (0.58) ADORA3KMT2AMEN1SMN1; SMN2ADORA2A
SCHEMBL3087861 0.85 ADORA3 (0.65) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL3087918 0.82 ADORA3 (0.62) ADORA3SMN1; SMN2ADORA2AADORA1ADORA2B
SCHEMBL3099398 0.82 ADORA3 (0.65) ADORA3SMN1; SMN2ADORA2AADORA1ADORA2B
SCHEMBL3076505 0.82 ADORA2A (0.68) ADORA3ADORA2AADORA1ADORA2BAPP
SCHEMBL3096053 0.80 ADORA3 (0.59) ADORA3SMN1; SMN2ADORA2AADORA1ADORA2B
SCHEMBL3075260 0.80 ADORA3 (0.70) ADORA3KMT2AMEN1ADORA2AADORA1
SCHEMBL3081056 0.80 ADORA2A (0.70) ADORA3SMN1; SMN2ADORA2AADORA1ADORA2B
SCHEMBL3096895 0.80 ADORA3 (0.62) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL3094118 0.79 ADORA3 (0.58) ADORA3SMN1; SMN2ADORA2AADORA1ADORA2B

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 3301/4885KMT2A 3779/4885MEN1 4225/4885

“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.