SCHEMBL5457956

SCHEMBL5457956

Cc1nc(N)nc2c1C(=O)C(C)C(c1ccccc1)C2

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.64
HSP90AB1 P08238 6/20 0.64
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.41
NUDT1 P36639 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
TRAP1 Q12931 1/20 0.36
TYMS P04818 1/20 0.35
DHFR P00374 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
SCHEMBL5462357 0.81 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL5476624 0.80 HSP90AA1 (0.53) HSP90AA1HSP90AB1ALDH1A1MAPTKDM4E
SCHEMBL1781499 0.78 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL1985041 0.76 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL1985045 0.76 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL1782260 0.69 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL1782262 0.69 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL12075117 0.69 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL1781492 0.68 HSP90AA1 (0.64) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2
SCHEMBL4619855 0.68 HSP90AA1 (0.60) HSP90AA1HSP90AB1ALDH1A1HPGDCYP1A2

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 3036/4885ALDH1A1 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.