SCHEMBL4620231

SCHEMBL4620231

Cc1nc(N)nc2c1C(=O)CC(c1cccc(Br)c1)C2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.73
HSP90AB1 P08238 7/20 0.73
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
USP2 O75604 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
TRAP1 Q12931 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC4 P56524 1/20 0.35

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
SCHEMBL1782572 0.86 HSP90AA1 (0.73) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1781499 0.85 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5464161 0.84 HSP90AA1 (0.70) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14582296 0.82 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14582413 0.81 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14582295 0.80 HSP90AA1 (0.65) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1781005 0.80 HSP90AA1 (0.80) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4618938 0.80 HSP90AA1 (0.75) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14582318 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14582294 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885701-A2 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES Novartis Vaccines and Diagnostics, Inc. (US) 2008-02-13 EP disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US disclosed
WO-2006113498-A2 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-10-26 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-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 HSP90AA1 3373/4885HSP90AB1 3036/4885ALDH1A1 1718/4885

“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.