SCHEMBL3313613

SCHEMBL3313613

COc1cc(N2CCN(C(C)=O)CC2)c(C#N)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
THRB P10828 1/20 0.45
MAPT P10636 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 1/20 0.43
NCF1 P14598 2/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SMPD3 Q9NY59 1/20 0.40
CASP6 P55212 1/20 0.40
GFER P55789 1/20 0.40
RORC P51449 1/20 0.39
NSD2 O96028 1/20 0.39
SLC6A9 P48067 1/20 0.39
TACR3 P29371 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3313821 0.84 ACHE (0.46) LMNAMAPTHSD17B10NCF1ACHE
SCHEMBL23759604 0.83 MAPT (0.47) LMNAMAPTHSD17B10GAANSD2
SCHEMBL3312015 0.82 LMNA (0.64) LMNATHRBMAPTALDH1A1SMN1; SMN2
SCHEMBL3313409 0.82 ALDH1A1 (0.47) LMNANCF1ACHEBACE1SMPD3
SCHEMBL3315381 0.81 ALDH1A1 (0.49) LMNAMAPTNCF1ACHEBACE1
SCHEMBL20632652 0.79 MAPK1 (0.48) LMNATHRBMAPTHSD17B10GAA
SCHEMBL21561018 0.77 LMNA (0.64) LMNAMAPTNCF1CASP6GFER
SCHEMBL3316035 0.72 LMNA (0.49) LMNATHRBMAPTHSD17B10GAA
SCHEMBL23759673 0.72 ALK (0.42) MAPTHSD17B10GAA
SCHEMBL23154115 0.72 RET (0.46) ACHEBACE1SMPD3

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 3341/4885THRB 2611/4885MAPT 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.