SCHEMBL904070

SCHEMBL904070

Nc1nc(C(=O)N2Cc3ccccc3C2)c2cc(-c3cc(F)c(F)cc3CCl)ccc2n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.73
HSP90AB1 P08238 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL904127 0.92 HSP90AA1 (0.74) HSP90AA1HSP90AB1SMN1; SMN2ADORA2AADORA1
SCHEMBL903952 0.92 HSP90AA1 (0.79) HSP90AA1HSP90AB1SMN1; SMN2HPGD
SCHEMBL904212 0.90 HSP90AA1 (0.68) HSP90AA1HSP90AB1SMN1; SMN2ADORA2AADORA1
SCHEMBL10259843 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1ADORA2AADORA1DPP4
SCHEMBL904229 0.88 HSP90AA1 (0.69) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL15091262 0.88 HSP90AA1 (0.69) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL904236 0.87 HSP90AA1 (0.68) HSP90AA1HSP90AB1ADORA2AADORA1
Carbamic Acid SCHEMBL15091379 0.87 HSP90AA1 (0.68) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL904184 0.87 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL904225 0.87 HSP90AA1 (0.68) HSP90AA1HSP90AB1

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
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
CN-103119037-A Phenyl quinazoline derivatives MERCK PATENT GMBH 2013-05-22 CN 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 2/4885SMN1; SMN2 3054/4885

“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.