SCHEMBL3975359

SCHEMBL3975359

CC(C)CC(=O)Nc1ccc(-c2nc(Cl)c3ccc(Cl)cc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP7 Q9BQF6 3/20 0.61
CASP3 P42574 3/20 0.61
PTPN1 P18031 2/20 0.52
KDM4E B2RXH2 3/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 5/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PSD A5PKW4 1/20 0.46
GFER P55789 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL3976153 0.80 SLC2A1 (0.58) SENP7CASP3ALDH1A1KDM1ATP53
SCHEMBL21793867 0.78 SENP7 (0.64) SENP7CASP3PTPN1KDM4ETSHR
SCHEMBL21793707 0.77 SENP7 (0.62) SENP7CASP3PTPN1KDM4ETSHR
SCHEMBL12197936 0.75 PTPN1 (0.73) SENP7CASP3PTPN1KDM4ETSHR
SCHEMBL2154965 0.75 NPC1 (0.46) RAB9ANPC1MAPK1ADORA3GAA
SCHEMBL20660823 0.74 ALDH1A1 (0.62) SENP7CASP3PTPN1KDM4ERAB9A
SCHEMBL23748365 0.73 CASP3 (0.84) SENP7CASP3KDM4ETSHRRAB9A
SCHEMBL30789024 0.73 CASP3 (0.84) SENP7CASP3KDM4ETSHRRAB9A
SCHEMBL23748388 0.72 CASP3 (0.82) SENP7CASP3PTPN1KDM4ETSHR
SCHEMBL30789006 0.72 CASP3 (0.82) SENP7CASP3PTPN1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 SENP7 3613/4885CASP3 1439/4885PTPN1 2325/4885

“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.