SCHEMBL3316833

SCHEMBL3316833

COc1cc(O[C@@H]2CCN(C(=O)O)C2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.46
PIK3CA P42336 14/20 0.46
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ACACB O00763 1/20 0.43
HSD11B1 P28845 1/20 0.41

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
SCHEMBL3317788 1.00 PIK3CD (0.46) PIK3CDPIK3CAHRH1CCR3KCNH2
SCHEMBL13362084 0.90 PDE4B (0.48) PIK3CDPIK3CAHRH1CCR3KCNH2
SCHEMBL13362028 0.86 HRH1 (0.46) PIK3CDPIK3CAHRH1CCR3KCNH2
SCHEMBL13362079 0.85 OXTR (0.49) HRH1CCR3KCNH2ALDH1A1CYP3A4
SCHEMBL15174208 0.85 F10 (0.39) PIK3CDPIK3CA
SCHEMBL15174207 0.83 PIK3CD (0.41) PIK3CDPIK3CA
SCHEMBL13362094 0.82 ALDH1A1 (0.47) PIK3CDPIK3CAHRH1CCR3KCNH2
SCHEMBL1782598 0.82 ALDH1A1 (0.50) PIK3CDPIK3CAHRH1CCR3KCNH2
SCHEMBL1912083 0.82 ALDH1A1 (0.50) PIK3CDPIK3CAHRH1CCR3KCNH2
SCHEMBL10208091 0.82 ALDH1A1 (0.50) PIK3CDPIK3CAHRH1CCR3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS PIK3CD 935/4885PIK3CA 398/4885HRH1 1145/4885

“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.