SCHEMBL3089574

SCHEMBL3089574

CN(Cc1ccccc1F)C(=O)c1nc(N)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
ADORA3 P0DMS8 3/20 0.45
RIPK1 Q13546 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.43
ADRB2 P07550 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 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
SCHEMBL16628743 0.87 ADORA3 (0.47) ADORA3ALDH1A1HPGDNPC1ADORA2A
SCHEMBL16628750 0.84 NPC1 (0.63) MEN1KMT2AADORA3LMNANPC1
SCHEMBL3081057 0.84 CYP3A4 (0.53) MEN1KMT2AADORA3
SCHEMBL3087952 0.83 APP (0.48) KMT2A
SCHEMBL3087920 0.81 ADORA3 (0.52) MEN1KMT2AADORA3ALDH1A1HPGD
SCHEMBL3090418 0.81 SCD5 (0.52) MEN1KMT2ARIPK1ALDH1A1HPGD
SCHEMBL16628712 0.80 ADORA3 (0.56) ADORA3ALDH1A1L3MBTL1
SCHEMBL13144371 0.79 ADORA2A (0.49) MEN1KMT2AADORA3ALDH1A1ADORA2A
SCHEMBL16628740 0.79 ADORA3 (0.50) MEN1KMT2AADORA3ALDH1A1HPGD
SCHEMBL3096062 0.79 ADORA3 (0.50) ADORA3ALDH1A1HPGDHSP90AA1HSP90AB1

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 4 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
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP 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-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P MEN1 4225/4885KMT2A 3779/4885ATM 1313/4885

“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.