SCHEMBL15091307

SCHEMBL15091307

CC(C)(C)C(N)c1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.60
HSP90AB1 P08238 4/20 0.56
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
HPGD P15428 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
PLA2G1B P04054 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15091306 0.91 HSP90AA1 (0.59) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL15091361 0.91 HSP90AA1 (0.59) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL17416330 0.85 HSP90AA1 (0.67) HSP90AA1HSP90AB1KDM4EHTTNPSR1
SCHEMBL15091395 0.84 HSP90AA1 (0.60) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL15094436 0.84 HSP90AA1 (0.54) HSP90AA1HSP90AB1
SCHEMBL15091261 0.84 HSP90AA1 (0.68) HSP90AA1HSP90AB1KDM4EHTTNPSR1
SCHEMBL10255509 0.83 HSP90AA1 (0.67) HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL904127 0.83 HSP90AA1 (0.74) HSP90AA1HSP90AB1KDM4EHTTNPSR1
SCHEMBL2506283 0.83 HSP90AA1 (0.67) HSP90AA1HSP90AB1KDM4EHTTNPSR1
SCHEMBL2510542 0.82 HSP90AA1 (0.64) HSP90AA1HSP90AB1KDM4EHTTNPSR1

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
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP claimed
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

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 2/4885KDM4E 3029/4885

“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.