SCHEMBL3097002

SCHEMBL3097002

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.48
HSP90AB1 P08238 2/20 0.48
EGLN1 Q9GZT9 3/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
DHFR P00374 2/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCC4 O15439 1/20 0.36
TTR P02766 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL3088463 0.83 HSP90AA1 (0.53) HSP90AA1ALDH1A1HPGDLMNADHFR
SCHEMBL3092345 0.82 ALDH1A1 (0.41) ALDH1A1HPGDLMNADHFRKMT2A
SCHEMBL3088521 0.82 HSP90AB1 (0.45) HSP90AB1ALDH1A1HPGDLMNAKDM4E
SCHEMBL3087968 0.82 HSP90AA1 (0.47) HSP90AA1ALDH1A1HPGDLMNADHFR
SCHEMBL13144829 0.82 ALDH1A1 (0.41) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL3089581 0.80 HPGD (0.50) HSP90AA1EGLN1ALDH1A1HPGDLMNA
SCHEMBL16628707 0.80 TLR8 (0.39) HSP90AA1ALDH1A1HPGDLMNADHFR
SCHEMBL3099210 0.79 ADORA3 (0.54) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL16628739 0.77 IP6K1 (0.44) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL3099114 0.77 HSP90AA1 (0.49) HSP90AA1ALDH1A1DHFRKMT2AKDM4E

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 2/4885HSP90AB1 1/4885EGLN1 2345/4885

“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.