SCHEMBL3086700

SCHEMBL3086700

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3cccc(O)c3)ccc2n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.79
HSP90AB1 P08238 4/20 0.79
SRC P12931 1/20 0.45
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAP4K4 O95819 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
DHFR P00374 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL3085489 0.92 HSP90AA1 (0.76) HSP90AA1HSP90AB1HPGDSMN1; SMN2DHFR
SCHEMBL16628686 0.89 HSP90AA1 (1.00) HSP90AA1HSP90AB1HPGDSMN1; SMN2MAOB
SCHEMBL3075220 0.86 HSP90AA1 (0.72) HSP90AA1HSP90AB1HPGDSMN1; SMN2KDM4E
SCHEMBL3093896 0.86 HSP90AA1 (0.70) HSP90AA1HSP90AB1HPGDSMN1; SMN2DHFR
SCHEMBL3098486 0.85 HSP90AA1 (0.66) HSP90AA1HSP90AB1HPGDPIK3CA
SCHEMBL3090578 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1HPGDALDH1A1MAPT
SCHEMBL13144976 0.84 HSP90AA1 (0.67) HSP90AA1HSP90AB1HPGDSMN1; SMN2KDM4E
SCHEMBL3089542 0.84 HSP90AA1 (0.74) HSP90AA1HSP90AB1HPGDSMN1; SMN2DHFR
SCHEMBL902000 0.84 HSP90AA1 (0.74) HSP90AA1HSP90AB1HPGDALDH1A1MAPT
SCHEMBL13144787 0.83 HSP90AA1 (0.82) HSP90AA1HSP90AB1HPGDSMN1; SMN2MAOB

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 1/4885SRC 2487/4885

“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.