SCHEMBL904155

SCHEMBL904155

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3CN3CCC(O)CC3)ccc2n1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.73
HSP90AB1 P08238 3/20 0.56
NAMPT P43490 1/20 0.42
F10 P00742 4/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
GRM2 Q14416 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL904224 0.95 HSP90AA1 (0.70) HSP90AA1HSP90AB1F10F2
SCHEMBL904058 0.91 HSP90AA1 (0.81) HSP90AA1HSP90AB1F10ADORA2AADORA1
SCHEMBL904121 0.91 HSP90AA1 (0.60) HSP90AA1HSP90AB1NAMPTALOX5APFEN1
SCHEMBL15091206 0.90 HSP90AA1 (0.70) HSP90AA1HSP90AB1NAMPTF10GRM2
SCHEMBL904222 0.90 HSP90AA1 (0.70) HSP90AA1HSP90AB1NAMPTF10GRM2
SCHEMBL904033 0.90 HSP90AA1 (0.70) HSP90AA1HSP90AB1F10ADORA2AADORA1
SCHEMBL904024 0.90 HSP90AA1 (0.70) HSP90AA1HSP90AB1NAMPTF10GRM2
SCHEMBL3093432 0.90 HSP90AA1 (0.75) HSP90AA1HSP90AB1NAMPTF10ADORA2A
SCHEMBL13144877 0.89 HSP90AA1 (0.74) HSP90AA1HSP90AB1NAMPTADORA2AADORA1
SCHEMBL3080612 0.89 HSP90AA1 (0.74) HSP90AA1HSP90AB1F10ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885NAMPT 3292/4885

“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.