SCHEMBL3099258

SCHEMBL3099258

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(CCc3ccccc3)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.71
HSP90AB1 P08238 3/20 0.71
NAMPT P43490 2/20 0.40

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
SCHEMBL13960641 0.92 HSP90AA1 (0.70) HSP90AA1HSP90AB1
SCHEMBL16628727 0.91 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL3076546 0.91 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL13180105 0.90 HSP90AA1 (0.73) HSP90AA1HSP90AB1NAMPT
SCHEMBL27869740 0.89 HSP90AA1 (0.66) HSP90AA1HSP90AB1NAMPT
SCHEMBL12273440 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL16628749 0.89 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL12273815 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL12273502 0.88 HSP90AA1 (0.72) HSP90AA1HSP90AB1
SCHEMBL1768003 0.87 HSP90AA1 (0.66) HSP90AA1HSP90AB1NAMPT

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 1/4885NAMPT 2795/4885

“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.