SCHEMBL904229

SCHEMBL904229

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3cc(F)c(F)cc3CN3CCCC3)ccc2n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.69
HSP90AB1 P08238 3/20 0.56
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MOK Q9UQ07 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL10254191 0.93 HSP90AA1 (0.67) HSP90AA1HSP90AB1ADORA2AADORA1DYRK1A
SCHEMBL904058 0.89 HSP90AA1 (0.81) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL904127 0.88 HSP90AA1 (0.74) HSP90AA1HSP90AB1ADORA2AADORA1KDM4E
SCHEMBL903952 0.88 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL904070 0.88 HSP90AA1 (0.73) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL904209 0.86 HSP90AA1 (0.67) HSP90AA1HSP90AB1ADORA2AADORA1MEN1
SCHEMBL10254021 0.86 HSP90AA1 (0.63) HSP90AA1HSP90AB1TRPV1
SCHEMBL15091398 0.86 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL10259843 0.86 HSP90AA1 (0.71) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL17387512 0.85 HSP90AA1 (0.62) HSP90AA1HSP90AB1MEN1KMT2AKDM4E

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
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US 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-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 2/4885ADORA2A 3896/4885

“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.