SCHEMBL5457964

SCHEMBL5457964

Cc1nc(N)nc2c1C(=O)CC(c1ccc(F)cc1OCC1CCCC1)C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 0.48
HSP90AB1 P08238 9/20 0.48
TRAP1 Q12931 1/20 0.43
GUCY1B2 O75343 1/20 0.40
GUCY1A2 P33402 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
PIK3CA P42336 1/20 0.38

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
SCHEMBL5470091 0.96 HSP90AA1 (0.50) HSP90AA1HSP90AB1TRAP1HPGDPIK3CA
SCHEMBL5470286 0.88 HSP90AA1 (0.47) HSP90AA1HSP90AB1TRAP1HPGDPIK3CA
SCHEMBL5462346 0.87 HSP90AA1 (0.50) HSP90AA1HSP90AB1TRAP1TP53HPGD
SCHEMBL5472436 0.86 HSP90AA1 (0.49) HSP90AA1HSP90AB1TRAP1HPGD
SCHEMBL5466876 0.84 HSP90AA1 (0.55) HSP90AA1HSP90AB1TRAP1HPGD
SCHEMBL5467057 0.83 HSP90AA1 (0.47) HSP90AA1HSP90AB1TRAP1HPGD
SCHEMBL5474149 0.83 HSP90AA1 (0.50) HSP90AA1HSP90AB1TRAP1HPGD
SCHEMBL5457745 0.82 HSP90AA1 (0.52) HSP90AA1HSP90AB1TRAP1HPGD
SCHEMBL14582397 0.82 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRAP1
SCHEMBL5464150 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1TRAP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3036/4885TRAP1 2430/4885

“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.