SCHEMBL10165889

SCHEMBL10165889

COc1ccc(CC(=O)Nc2cc3cc(-c4cc[nH]c4)ccc3cn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.72
DYRK1A Q13627 12/20 0.55
GSK3B P49841 11/20 0.55
WNT1 P04628 4/20 0.55
WNT3A P56704 3/20 0.53
MAPK10 P53779 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RIOK2 Q9BVS4 2/20 0.48
KDM4E B2RXH2 1/20 0.47
GSK3A P49840 1/20 0.46
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45

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
SCHEMBL559364 0.87 MAPK8 (0.70) MAPK8DYRK1AGSK3BWNT1WNT3A
SCHEMBL10165890 0.86 WNT3A (0.59) MAPK8DYRK1AGSK3BWNT1WNT3A
SCHEMBL557622 0.84 MAPK8 (0.70) MAPK8DYRK1AGSK3BWNT1WNT3A
SCHEMBL559231 0.83 MAPK8 (1.00) MAPK8DYRK1AGSK3BWNT1CLK2
SCHEMBL10165891 0.82 MAPK8 (0.53) MAPK8DYRK1AGSK3BWNT1
SCHEMBL12361577 0.79 MAPK8 (0.67) MAPK8DYRK1AGSK3BWNT1WNT3A
SCHEMBL559695 0.78 MAPK8 (0.58) MAPK8DYRK1AGSK3BWNT1WNT3A
SCHEMBL558470 0.76 MAPK8 (0.56) MAPK8DYRK1AGSK3BWNT1WNT3A
SCHEMBL10165902 0.75 DYRK1A (0.55) DYRK1AGSK3BWNT1
SCHEMBL559024 0.74 DYRK1A (0.65) MAPK8DYRK1AGSK3BWNT1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885DYRK1A 1064/4885GSK3B 685/4885

“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.