SCHEMBL3313751

SCHEMBL3313751

COc1c([N+](=O)[O-])ccc(N2CCN(C(C)=O)CC2)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
MAPT P10636 13/20 0.46
RECQL P46063 1/20 0.46
ALDH1A1 P00352 12/20 0.46
GPR174 Q9BXC1 2/20 0.45
GAA P10253 2/20 0.43
MAPK1 P28482 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3315467 0.86 MAPT (0.51) LMNAMAPTRECQLALDH1A1GPR174
SCHEMBL3313816 0.84 LMNA (0.59) LMNAMAPTRECQLALDH1A1GPR174
SCHEMBL3309164 0.83 MAPT (0.49) LMNAMAPTRECQLALDH1A1GPR174
SCHEMBL3315189 0.82 MAPT (0.54) LMNAMAPTRECQLALDH1A1GPR174
SCHEMBL3316035 0.81 LMNA (0.49) LMNAMAPTALDH1A1GAAMAPK1
SCHEMBL3312015 0.76 LMNA (0.64) LMNAMAPTRECQLALDH1A1GPR174
SCHEMBL22471138 0.75 MAPT (0.62) LMNAMAPTRECQLALDH1A1GPR174
SCHEMBL3316460 0.71 LMNA (0.61) LMNAMAPTALDH1A1GPR174GAA
SCHEMBL3318884 0.71 ALDH1A1 (0.51) LMNAMAPTALDH1A1GPR174GAA
SCHEMBL3320231 0.71 ALDH1A1 (0.57) LMNAMAPTRECQLALDH1A1GPR174

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 LMNA 3341/4885MAPT 2130/4885RECQL 114/4885

“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.