SCHEMBL902196

SCHEMBL902196

C[C@H](N)C(=O)OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.65
HSP90AB1 P08238 4/20 0.55
DPP8 Q6V1X1 3/20 0.33
DPP7 Q9UHL4 3/20 0.33
DPP4 P27487 2/20 0.33
DHFR P00374 1/20 0.33
DPP9 Q86TI2 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
Hydrochloric Acid SCHEMBL901460 0.99 HSP90AA1 (0.65) HSP90AA1HSP90AB1DPP8DPP7DPP4
SCHEMBL904196 0.95 HSP90AA1 (0.67) HSP90AA1HSP90AB1DPP8DPP7DPP4
SCHEMBL902027 0.93 HSP90AA1 (0.63) HSP90AA1HSP90AB1DPP8DPP7DPP4
SCHEMBL901947 0.91 HSP90AA1 (0.65) HSP90AA1HSP90AB1DPP8DPP7DPP4
SCHEMBL904184 0.91 HSP90AA1 (0.68) HSP90AA1HSP90AB1DHFR
Hydrochloric Acid SCHEMBL902231 0.91 HSP90AA1 (0.64) HSP90AA1HSP90AB1DPP8DPP7DPP4
SCHEMBL901365 0.89 HSP90AA1 (0.66) HSP90AA1HSP90AB1DHFR
SCHEMBL901996 0.89 HSP90AA1 (0.66) HSP90AA1HSP90AB1DHFR
SCHEMBL901903 0.89 HSP90AA1 (0.62) HSP90AA1HSP90AB1DPP8DPP7DPP4
SCHEMBL10253669 0.89 HSP90AA1 (0.65) HSP90AA1HSP90AB1DHFR

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 11 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 claimed
EP-2621919-A1 PHENYLQUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-08-07 EP claimed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US claimed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 WO claimed
EP-2621919-B1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-13 EP 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
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.