SCHEMBL10165902

SCHEMBL10165902

COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1cc2cc(-c3cc[nH]c3)ccc2cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 17/20 0.55
GSK3B P49841 16/20 0.55
ABL1 P00519 3/20 0.52
WNT1 P04628 8/20 0.48

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
SCHEMBL14391663 0.89 DYRK1A (0.56) DYRK1AGSK3BABL1WNT1
SCHEMBL558822 0.89 DYRK1A (0.56) DYRK1AGSK3BABL1WNT1
SCHEMBL10165894 0.89 DYRK1A (0.53) DYRK1AGSK3BABL1WNT1
SCHEMBL12380303 0.86 GSK3B (0.66) DYRK1AGSK3BABL1WNT1
SCHEMBL10165893 0.83 GSK3B (0.47) DYRK1AGSK3BABL1WNT1
SCHEMBL10165899 0.83 GSK3B (0.47) DYRK1AGSK3BABL1WNT1
SCHEMBL12361582 0.82 ABL1 (0.49) DYRK1AGSK3BABL1WNT1
SCHEMBL558246 0.78 DYRK1A (0.57) DYRK1AGSK3BABL1WNT1
SCHEMBL14391691 0.78 DYRK1A (0.57) DYRK1AGSK3BABL1WNT1
SCHEMBL10165931 0.75 DYRK1A (0.57) DYRK1AGSK3BABL1WNT1

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 DYRK1A 1064/4885GSK3B 685/4885ABL1 438/4885

“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.