SCHEMBL3088463

SCHEMBL3088463

CCN(CC)C(=O)c1nc(N)nc2ccc(C)cc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.53
KCNH2 Q12809 2/20 0.44
ADORA3 P0DMS8 1/20 0.42
HPGD P15428 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
DHFR P00374 1/20 0.42
LMNA P02545 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
ADORA2A P29274 1/20 0.41
PKM P14618 1/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3099114 0.92 HSP90AA1 (0.49) HSP90AA1KCNH2ADORA3ALDH1A1KDM4E
SCHEMBL3075306 0.89 MEN1 (0.54) HSP90AA1HPGDALDH1A1KDM4EMEN1
SCHEMBL3088521 0.85 HSP90AB1 (0.45) HPGDALDH1A1KDM4ELMNAMAPT
SCHEMBL3087968 0.85 HSP90AA1 (0.47) HSP90AA1ADORA3HPGDTDP1ALDH1A1
SCHEMBL3092345 0.85 ALDH1A1 (0.41) HPGDALDH1A1KDM4EMEN1TSHR
SCHEMBL13144829 0.85 ALDH1A1 (0.41) HSP90AA1HPGDALDH1A1KMT2ADHFR
SCHEMBL3093720 0.85 HSP90AA1 (0.49) HSP90AA1KCNH2ADORA3TDP1ALDH1A1
SCHEMBL13144417 0.84 HSP90AA1 (0.48) HSP90AA1KCNH2ADORA3ALDH1A1KDM4E
SCHEMBL3097002 0.83 HSP90AA1 (0.48) HSP90AA1HPGDALDH1A1KDM4EKMT2A
SCHEMBL3089581 0.83 HPGD (0.50) HSP90AA1HPGDALDH1A1TSHRDHFR

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 HSP90AA1 2/4885KCNH2 2712/4885ADORA3 3301/4885

“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.