Sugi Predict

Sugi Predict / Compounds / SCHEMBL183079

SCHEMBL183079

SCHEMBL183079

COc1c[c]cc(OCCCN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ TAAR1 Q96RJ0 4/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ DYRK3 O43781 2/20 0.33
▸ CLK2 P49760 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 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
SCHEMBL182707 0.90 TAAR1 (0.42) ALDH1A1AHRTAAR1MAPK1ADRA1A
SCHEMBL16954667 0.82 AHR (0.53) ALDH1A1AHRCYP3A4L3MBTL1TSHR
SCHEMBL27846942 0.81 TSHR (0.39) ALDH1A1AHRMAPK1MEN1CYP1A2
SCHEMBL17046422 0.80 AHR (0.42) ALDH1A1AHRMAPK1MEN1KMT2A
SCHEMBL27864099 0.80 MAPK1 (0.41) ALDH1A1AHRMAPK1CYP1A2CYP2C19
SCHEMBL21268264 0.78 ALDH1A1 (0.39) ALDH1A1AHRMAPK1MEN1CYP1A2
SCHEMBL63193 0.78 ALDH1A1 (0.59) ALDH1A1AHRCYP1A2CYP3A4CYP2C9
SCHEMBL16718937 0.77 MAPK1 (0.59) ALDH1A1NOS3NOS1NOS2TAAR1
SCHEMBL28007784 0.76 ALDH1A1 (0.56) ALDH1A1AHRCYP1A2CYP3A4CYP2C9
SCHEMBL28321856 0.76 ALDH1A1 (0.56) ALDH1A1AHRCYP1A2CYP3A4CYP2C9

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 ALDH1A1 1849/4885AHR 1645/4885NOS3 1228/4885

“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.