SCHEMBL904216

SCHEMBL904216

CN(C)CCNC(=O)OCc1cc(F)c(F)cc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.60
HSP90AB1 P08238 3/20 0.49
WNT1 P04628 1/20 0.37
DYRK1A Q13627 1/20 0.37
ATM Q13315 6/20 0.35
ABL1 P00519 1/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL904227 0.92 HSP90AA1 (0.64) HSP90AA1HSP90AB1DPP8DPP7
SCHEMBL902130 0.89 HSP90AA1 (0.62) HSP90AA1HSP90AB1WNT1DYRK1A
SCHEMBL10263316 0.88 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL10254685 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL904176 0.87 HSP90AA1 (0.64) HSP90AA1HSP90AB1WNT1DYRK1A
SCHEMBL10253669 0.87 HSP90AA1 (0.65) HSP90AA1HSP90AB1
Hydrochloric Acid SCHEMBL15091333 0.87 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL901996 0.86 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL904184 0.86 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL903928 0.86 HSP90AA1 (0.62) HSP90AA1HSP90AB1WNT1DYRK1AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885WNT1 4611/4885

“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.