SCHEMBL183143

SCHEMBL183143

[c]1ccc(OCCOc2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
KCNA3 P22001 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35

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
SCHEMBL4190714 0.82 KDM4E (0.50) LTA4HPTGS2CYP2D6CYP2C19CYP1A2
SCHEMBL24845036 0.79 KCNA3 (0.64) LTA4HPTGS2CYP2D6CYP2C19CYP1A2
SCHEMBL692949 0.79 LTA4H (0.46) LTA4HPTGS2CYP2C19CYP1A2CYP2C9
SCHEMBL7543481 0.79 LTA4H (0.55) LTA4HPTGS2RAB9AMAPTKCNA3
SCHEMBL4499163 0.79 RAB9A (0.51) LTA4HPTGS2CYP2D6CYP2C19CYP1A2
SCHEMBL10399922 0.79 DRD4 (0.47) LTA4HPTGS2CYP2D6CYP2C19CYP1A2
SCHEMBL3696413 0.78 KCNA3 (0.61) LTA4HRAB9AALDH1A1MAPTKCNA3
SCHEMBL10785918 0.78 KCNA3 (0.43) ALDH1A1MAPTKCNA3KDM4EPKM
SCHEMBL182812 0.77 CYP2D6 (0.41) LTA4HCYP2D6
Hydrochloric Acid SCHEMBL10452652 0.77 LTA4H (0.53) LTA4HPTGS2RAB9AMAPTKCNA3

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 LTA4H 305/4885PTGS2 294/4885CYP2D6 1968/4885

“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.