SCHEMBL3319932

SCHEMBL3319932

COc1cc(C(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.42
CFTR P13569 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
STS P08842 1/20 0.40
LMNA P02545 2/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
NR1H2 P55055 1/20 0.40
PDE4B Q07343 2/20 0.39

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
SCHEMBL3311700 0.81 MAPT (0.55) ALDH1A1HTTMAPTPOLBKMT2A
SCHEMBL3314928 0.80 POLB (0.46) ALDH1A1HTTPOLB
SCHEMBL1707770 0.79 MAPT (0.57) ALDH1A1MAPTSMARCA2SMARCA4PBRM1
SCHEMBL15753507 0.79 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1ATMPOLB
SCHEMBL2954681 0.76 TSHR (0.51) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL520517 0.76 KDM4E (0.51) ALDH1A1MAPK1MEN1KMT2A
SCHEMBL7427180 0.75 MEN1 (0.46) ALDH1A1HTTMAPTNPC1MAPK1
SCHEMBL2731570 0.75 LMNA (0.53) ALDH1A1MAPTSMARCA2SMARCA4PBRM1
SCHEMBL30957975 0.74 PDE4B (0.62) ALDH1A1HTTMAPTSTSPDE4B
SCHEMBL310046 0.74 PDE4B (0.62) ALDH1A1HTTMAPTSTSPDE4B

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 ALDH1A1 649/4885HTT 3683/4885MAPT 2130/4885

“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.