SCHEMBL322449

SCHEMBL322449

COCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
PTGS2 P35354 1/20 0.40
IDO1 P14902 4/20 0.38
AGXT P21549 4/20 0.38
MAOB P27338 2/20 0.34
NAAA Q02083 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHEK1 O14757 1/20 0.34
FAAH O00519 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL229812 0.86
SCHEMBL198803 0.86 ERN1 (0.47) ERN1PTGS2IDO1AGXTMAOB
SCHEMBL11313016 0.79 ERN1 (0.51) ERN1PTGS2IDO1AGXTMAOB
SCHEMBL5800316 0.79 ACACB (0.41) MAOBHRH3
SCHEMBL7265564 0.79 ERN1 (0.49) ERN1AGXTNAAAL3MBTL1
SCHEMBL134443 0.78 IDO1 (0.46) ERN1PTGS2IDO1AGXTMAOB
SCHEMBL12648082 0.77 AGXT (0.54) ERN1PTGS2IDO1AGXTMAOB
SCHEMBL13497923 0.77 ERN1 (0.42) ERN1PTGS2IDO1AGXTTDP1
SCHEMBL3146138 0.77 IDO1 (0.61) ERN1IDO1AGXTNAAA
SCHEMBL12736280 0.77 AGXT (0.54) ERN1PTGS2IDO1AGXTMAOB

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 3 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
US-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors NOVARTIS AG 2009-10-15 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-20090258882-A1 2,4-Substituted Quinazolines as Lipid Kinase Inhibitors PDPK1, PI4KA, PIK3CA ERN1 1291/4885PTGS2 294/4885IDO1 1090/4885

“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.