SCHEMBL182574

SCHEMBL182574

[c]1ccc(OCCN2CCC(N3CCCC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.69
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
LTA4H P09960 3/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL182828 0.85 HRH3 (0.72) HRH3LTA4H
SCHEMBL159557 0.85 PSMB1 (0.62) HRH3LTA4HPSMB1PSMB5PSMB2
Hydrochloric Acid SCHEMBL7819689 0.83 PSMB1 (0.60) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL188519 0.83 PSMB1 (0.65) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL5114639 0.83 PSMB1 (0.65) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL30969262 0.78 HRH3 (0.65) HRH3CYP3A4CYP2C9LTA4HPSMB1
SCHEMBL2183680 0.77 HRH3 (0.50) HRH3CYP3A4CYP2C9LTA4H
SCHEMBL3165031 0.77 HRH3 (0.67) HRH3
SCHEMBL2180631 0.77 LTA4H (0.63) HRH3LTA4H
SCHEMBL2988852 0.76 SLC18A3 (0.54) HRH3CYP3A4LTA4HMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 US disclosed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP disclosed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA HRH3 1106/4885CYP3A4 1218/4885CYP2C9 1971/4885

“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.