SCHEMBL3316445

SCHEMBL3316445

COc1c(N)ccc(N2CCN(C(C)=O)CC2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
CASP6 P55212 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NCF1 P14598 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL3311256 0.89 ALDH1A1 (0.54) ALDH1A1USP2CASP6GFERLMNA
SCHEMBL3309920 0.87 ALDH1A1 (0.55) ALDH1A1USP2CASP6GFERLMNA
SCHEMBL17021420 0.86 MAPT (0.41) ALDH1A1LMNAMAPTMAPK1HSD17B10
SCHEMBL3316035 0.84 LMNA (0.49) ALDH1A1USP2CASP6GFERLMNA
SCHEMBL3315467 0.78 MAPT (0.51) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL3315976 0.77 ALDH1A1 (0.60) ALDH1A1CASP6GFERLMNAMAPT
SCHEMBL17630324 0.75 CASP6 (0.59) ALDH1A1CASP6GFERLMNANCF1
SCHEMBL17265362 0.75 GAA (0.40) ALDH1A1USP2MAPTMAPK1HSD17B10
SCHEMBL3346311 0.74 KDM4E (0.36) ALDH1A1USP2GFERLMNAMAPT
SCHEMBL3313821 0.73 ACHE (0.46) ALDH1A1USP2CASP6GFERLMNA

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 649/4885USP2 4534/4885CASP6 2309/4885

“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.