Sugi Predict

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SCHEMBL904213

SCHEMBL904213

CN(Cc1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1)C1CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 11/20 0.73
▸ HSP90AB1 P08238 3/20 0.56
▸ CYP2D6 P10635 5/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DHFR P00374 1/20 0.33

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
SCHEMBL13144879 0.90 HSP90AA1 (0.79) HSP90AA1HSP90AB1CYP2D6CYP1A2CYP3A4
SCHEMBL904218 0.89 HSP90AA1 (0.76) HSP90AA1HSP90AB1CYP2D6CYP1A2CYP3A4
SCHEMBL10255013 0.87 HSP90AA1 (0.77) HSP90AA1HSP90AB1CYP2D6CYP1A2CYP3A4
SCHEMBL904221 0.87 HSP90AA1 (0.76) HSP90AA1HSP90AB1ALDH1A1DHFR
SCHEMBL3095988 0.86 HSP90AA1 (0.85) HSP90AA1HSP90AB1KDM4EDHFR
SCHEMBL13144793 0.84 HSP90AA1 (0.85) HSP90AA1HSP90AB1KDM4EDHFR
SCHEMBL904228 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL904217 0.84 HSP90AA1 (0.78) HSP90AA1HSP90AB1CYP2D6CYP1A2CYP3A4
SCHEMBL904020 0.83 HSP90AA1 (0.74) HSP90AA1HSP90AB1KDM4EMEN1KMT2A
SCHEMBL27926341 0.83 HSP90AA1 (0.74) HSP90AA1HSP90AB1CYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US claimed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 — — US claimed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 — — US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 — — US disclosed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 — — US disclosed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 — — 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-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES HSP90B1, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885CYP2D6 1567/4885

“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.