SCHEMBL182672

SCHEMBL182672

O=C(COc1cc[c]cc1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.68
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 4/20 0.58
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL3159548 0.86 HPGD (0.65) TDP1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL3168393 0.84 HPGD (0.68) TDP1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL2829771 0.84 ACHE (0.73) ACHECYP2D6CYP2C19NPSR1KDM4E
SCHEMBL2836569 0.84 ACHE (0.72) ACHECYP2D6CYP2C19NPSR1KDM4E
SCHEMBL2829286 0.82 ACHE (0.69) ACHECYP2D6CYP2C19NPSR1KDM4E
SCHEMBL2828800 0.81 ACHE (0.67) ACHECYP2D6CYP2C19NPSR1KDM4E
SCHEMBL4993839 0.80 CYP1A2 (0.67) CYP2D6NPSR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2831262 0.79 NPC1 (0.76) ACHECYP2D6CYP2C19NPSR1KDM4E
SCHEMBL182463 0.76 POLB (0.66) ACHETDP1ALDH1A1TP53SMN1; SMN2
SCHEMBL3154984 0.76 FKBP1A (0.69) KDM4EALDH1A1SMN1; SMN2POLBMAPT

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 ACHE 4808/4885CYP2D6 1968/4885CYP2C19 806/4885

“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.