SCHEMBL13144875

SCHEMBL13144875

CN(C)CCNCc1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.70
HSP90AB1 P08238 3/20 0.54
MOK Q9UQ07 1/20 0.42
ABL1 P00519 1/20 0.39
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
TERT O14746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHEK1 O14757 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
VSIR Q9H7M9 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL15091390 0.91 HSP90AA1 (0.74) HSP90AA1HSP90AB1MOKABL1
SCHEMBL13144874 0.90 HSP90AA1 (0.78) HSP90AA1HSP90AB1MOK
SCHEMBL13144886 0.89 HSP90AA1 (0.76) HSP90AA1HSP90AB1ABL1KDM4E
SCHEMBL13144880 0.88 HSP90AA1 (0.70) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL15091343 0.88 HSP90AA1 (0.75) HSP90AA1HSP90AB1MOKCHEK1
SCHEMBL903932 0.87 HSP90AA1 (0.79) HSP90AA1HSP90AB1KDM4E
SCHEMBL13144879 0.87 HSP90AA1 (0.79) HSP90AA1HSP90AB1CYP1A2CYP3A4CYP2D6
SCHEMBL901886 0.86 HSP90AA1 (0.75) HSP90AA1HSP90AB1KDM4EHPGD
SCHEMBL15091273 0.85 HSP90AA1 (0.74) HSP90AA1HSP90AB1
SCHEMBL13144912 0.85 HSP90AA1 (0.63) HSP90AA1HSP90AB1MOKWNT1DYRK1A

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 6 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 disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 US disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 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-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 (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 1/4885MOK 4468/4885

“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.