SCHEMBL903930

SCHEMBL903930

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(I)ccc2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.76
HSP90AB1 P08238 5/20 0.76
SMN1; SMN2 Q16637 2/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HPGD P15428 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13144832 0.92 HSP90AA1 (0.65) HSP90AA1HSP90AB1SMN1; SMN2HPGDHTT
SCHEMBL16628709 0.88 HSP90AA1 (0.80) HSP90AA1HSP90AB1SMN1; SMN2HSP90B1TRAP1
SCHEMBL16628686 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1SMN1; SMN2HSP90B1TRAP1
SCHEMBL12199578 0.85 HSP90AA1 (1.00) HSP90AA1HSP90AB1SMN1; SMN2HPGDADORA3
SCHEMBL16628710 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1SMN1; SMN2HTTLMNA
SCHEMBL16628804 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1SMN1; SMN2HSP90B1TRAP1
SCHEMBL2505825 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1SMN1; SMN2HSP90B1TRAP1
SCHEMBL3085489 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1SMN1; SMN2HSP90B1TRAP1
SCHEMBL3095799 0.85 HSP90AA1 (0.76) HSP90AA1HSP90AB1SMN1; SMN2ADORA3HTT
SCHEMBL3093806 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1SMN1; SMN2HPGDADORA3

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 33 patents — showing the first 20. 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
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP disclosed
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 EP disclosed
EP-2504314-B1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-05 EP disclosed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 US disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 WO disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
WO-2010066324-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-17 WO disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 WO 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 (2 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 1/4885SMN1; SMN2 3148/4885
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885SMN1; SMN2 3231/4885

“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.