SCHEMBL903937

SCHEMBL903937

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3ccccc3CNC3CC3)ccc2n1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.75
HSP90AB1 P08238 3/20 0.57
DPP8 Q6V1X1 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
SLC2A1 P11166 1/20 0.37
DPP4 P27487 1/20 0.37
F10 P00742 2/20 0.36
METAP2 P50579 1/20 0.35
DPP9 Q86TI2 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL13144881 0.97 HSP90AA1 (0.70) HSP90AA1HSP90AB1DPP8DPP7SLC2A1
SCHEMBL10253681 0.96 HSP90AA1 (0.73) HSP90AA1HSP90AB1DPP8DPP7SLC2A1
SCHEMBL27926341 0.92 HSP90AA1 (0.74) HSP90AA1HSP90AB1SLC2A1KDM4ECYP1A2
SCHEMBL15091273 0.89 HSP90AA1 (0.74) HSP90AA1HSP90AB1F10
SCHEMBL903932 0.88 HSP90AA1 (0.79) HSP90AA1HSP90AB1F10KDM4E
SCHEMBL13144886 0.86 HSP90AA1 (0.76) HSP90AA1HSP90AB1KDM4E
SCHEMBL3095988 0.86 HSP90AA1 (0.85) HSP90AA1HSP90AB1KDM4E
SCHEMBL13144793 0.86 HSP90AA1 (0.85) HSP90AA1HSP90AB1DPP4KDM4E
SCHEMBL904228 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL904036 0.86 HSP90AA1 (0.75) HSP90AA1HSP90AB1F10KDM4E

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 2/4885DPP8 3930/4885

“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.