SCHEMBL15091306

SCHEMBL15091306

CC(C)(C)C(N)c1cc(F)ccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.59
HSP90AB1 P08238 3/20 0.55
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
DHODH Q02127 2/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL15091361 0.93 HSP90AA1 (0.59) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL15091307 0.91 HSP90AA1 (0.60) HSP90AA1HSP90AB1DPP4DPP8DPP9
SCHEMBL904093 0.83 HSP90AA1 (0.64) HSP90AA1HSP90AB1ADORA2AADORA1DHODH
SCHEMBL902077 0.83 HSP90AA1 (0.66) HSP90AA1HSP90AB1ADORA2AADORA1DHODH
SCHEMBL2511177 0.83 HSP90AA1 (0.66) HSP90AA1HSP90AB1DHODH
SCHEMBL15091325 0.82 HSP90AA1 (0.67) HSP90AA1HSP90AB1ADORA2AADORA1DHODH
SCHEMBL904044 0.82 HSP90AA1 (0.62) HSP90AA1HSP90AB1ADORA2AADORA1DHODH
SCHEMBL904186 0.81 HSP90AA1 (0.81) HSP90AA1HSP90AB1ADORA2AADORA1DHODH
SCHEMBL16628804 0.81 HSP90AA1 (0.76) HSP90AA1HSP90AB1ADORA2AADORA1DHODH
SCHEMBL901446 0.81 HSP90AA1 (0.66) HSP90AA1HSP90AB1ADORA2AADORA1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885DPP4 3934/4885

“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.