SCHEMBL3099560

SCHEMBL3099560

CN(Cc1ccccc1)C(=O)c1nc(N)nc2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PIN1 Q13526 1/20 0.44
APOBEC3A P31941 1/20 0.44

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
SCHEMBL13144830 0.86 CYP3A4 (0.48) CYP3A4CYP2D6HPGDALDH1A1MEN1
SCHEMBL3081057 0.85 CYP3A4 (0.53) CYP3A4CYP2D6MEN1KMT2A
SCHEMBL13144770 0.80 HSP90AA1 (0.60) CYP3A4CYP2D6ALDH1A1MEN1KMT2A
SCHEMBL1768050 0.80 HSP90AA1 (0.45) CYP3A4CYP2D6HPGDALDH1A1MEN1
Bicarbonate SCHEMBL16966267 0.80 CYP3A4 (0.43) CYP3A4CYP2D6HPGDALDH1A1MEN1
SCHEMBL3087968 0.79 HSP90AA1 (0.47) CYP2D6SMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL12273449 0.79 HSP90AA1 (0.51) CYP3A4CYP2D6HPGDALDH1A1MEN1
SCHEMBL16628712 0.79 ADORA3 (0.56) SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL16628732 0.78 APP (0.52) CYP3A4CYP2D6LMNAHPGDHIF1A
SCHEMBL3087952 0.78 APP (0.48) KMT2A

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 CYP3A4 1615/4885CYP2D6 975/4885SMN1; SMN2 3148/4885

“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.