SCHEMBL182953

SCHEMBL182953

COc1c[c]ccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ HTT P42858 1/20 0.51
▸ POLB P06746 2/20 0.49
▸ TSHR P16473 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HRH4 Q9H3N8 2/20 0.44
▸ TYR P14679 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL183008 0.84 ALDH1A1 (0.53) ALDH1A1HTTPOLBTSHRGAA
SCHEMBL16463399 0.81 L3MBTL1 (0.48) ALDH1A1HPGDHTTPOLBTSHR
SCHEMBL27991292 0.79 L3MBTL1 (0.49) ALDH1A1HPGDHTTPOLBTSHR
SCHEMBL10293624 0.79 HTT (0.79) ALDH1A1HPGDHTTPOLBTSHR
SCHEMBL5497829 0.78 HSP90AA1 (0.50) ALDH1A1HPGDPOLBTSHRL3MBTL1
SCHEMBL28291406 0.77 HPGD (0.42) ALDH1A1HPGDHTTPOLBTSHR
SCHEMBL7871104 0.75 HPGD (0.63) ALDH1A1HPGDHTTPOLBTSHR
SCHEMBL1447972 0.75 ALDH1A1 (0.63) ALDH1A1HPGDHTTPOLBTSHR
SCHEMBL7355446 0.74 HTT (0.46) ALDH1A1HPGDHTTGAAL3MBTL1
SCHEMBL15286110 0.74 ALDH1A1 (0.61) ALDH1A1HPGDHTTPOLBTSHR

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 1849/4885HPGD 1007/4885HTT 4354/4885

“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.

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