SCHEMBL3075306

SCHEMBL3075306

CCN(Cc1ccccc1)C(=O)c1nc(N)nc2ccc(C)cc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSP90AA1 P07900 2/20 0.52
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL13144414 0.90 MEN1 (0.52) MEN1KMT2AHSP90AA1MAPK1ALDH1A1
SCHEMBL3088463 0.89 HSP90AA1 (0.53) MEN1KMT2AHSP90AA1TSHRLMNA
SCHEMBL13144416 0.89 CYP3A4 (0.52) MEN1KMT2AHSP90AA1
SCHEMBL3093854 0.87 TSHR (0.49) TSHRMAPK1LMNA
SCHEMBL3099114 0.85 HSP90AA1 (0.49) MEN1KMT2AHSP90AA1TSHRKDM4E
SCHEMBL3089581 0.79 HPGD (0.50) HSP90AA1TSHRLMNAALDH1A1HPGD
SCHEMBL3092345 0.78 ALDH1A1 (0.41) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL3093720 0.78 HSP90AA1 (0.49) MEN1KMT2AHSP90AA1TSHRMAPK1
SCHEMBL3099210 0.78 ADORA3 (0.54) KMT2AHSP90AA1LMNAKDM4EALDH1A1
SCHEMBL13144400 0.77 MEN1 (0.60) MEN1KMT2ATHRB

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 MEN1 4225/4885KMT2A 3779/4885HSP90AA1 2/4885

“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.