SCHEMBL182707

SCHEMBL182707

COc1c[c]cc(OCCN)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.42
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 2/20 0.37
PLA2G2A P14555 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ADRA1A P35348 1/20 0.34
AHR P35869 1/20 0.34

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
SCHEMBL183079 0.90 ALDH1A1 (0.37) TAAR1ALDH1A1MAPK1ADRA1AAHR
SCHEMBL8908947 0.83 ALDH1A1 (0.52) TAAR1ALDH1A1LTA4HPLA2G2AMAPK1
SCHEMBL17046422 0.82 AHR (0.42) ALDH1A1LTA4HMAPK1SMN1; SMN2AHR
SCHEMBL27864099 0.82 MAPK1 (0.41) ALDH1A1MAPK1SMN1; SMN2AHR
SCHEMBL21268264 0.80 ALDH1A1 (0.39) ALDH1A1MAPK1AHR
SCHEMBL16954667 0.80 AHR (0.53) ALDH1A1LTA4HPLA2G2ASMN1; SMN2AHR
SCHEMBL63193 0.80 ALDH1A1 (0.59) ALDH1A1AHR
SCHEMBL27846942 0.78 TSHR (0.39) ALDH1A1MAPK1AHR
SCHEMBL28089288 0.78 ALDH1A1 (0.56) ALDH1A1AHR
SCHEMBL28108949 0.78 ALDH1A1 (0.56) ALDH1A1AHR

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 TAAR1 3733/4885ALDH1A1 1849/4885LTA4H 305/4885

“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.