Sugi Predict

Sugi Predict / Compounds / SCHEMBL4620534

SCHEMBL4620534

SCHEMBL4620534

COC(=O)c1ccccc1C1CC(=O)c2c(C)nc(N)nc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 7/20 0.62
▸ HSP90AB1 P08238 6/20 0.62
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CFTR P13569 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ TRAP1 Q12931 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 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
SCHEMBL4620267 0.87 HSP90AA1 (0.66) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL1779006 0.83 HSP90AA1 (0.66) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL4620173 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL5463992 0.81 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL5457927 0.81 HSP90AA1 (0.53) HSP90AA1HSP90AB1HPGDTSHRRAB9A
SCHEMBL1781303 0.80 HSP90AA1 (0.69) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL1782399 0.80 HSP90AA1 (0.69) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL4620975 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL14582391 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10
SCHEMBL4619857 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDHSD17B10

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.