SCHEMBL10165956

SCHEMBL10165956

Nc1cc2cc(-c3cnn(Br)c3)ccc2cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.43
▸ GSK3B P49841 15/20 0.41
▸ DYRK1A Q13627 15/20 0.41
▸ WNT1 P04628 10/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ TTK P33981 2/20 0.38

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
SCHEMBL30381685 0.85 GSK3B (0.56) GSK3BDYRK1AWNT1ABL1CLK2
SCHEMBL20945222 0.85 GSK3B (0.56) GSK3BDYRK1AWNT1ABL1CLK2
SCHEMBL25424298 0.79 ABL1 (0.56) GSK3BDYRK1AWNT1ABL1CLK2
SCHEMBL30695432 0.78 GSK3B (0.47) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL30695445 0.78 DYRK1A (0.45) PDPK1GSK3BDYRK1AWNT1ABL1
SCHEMBL30695495 0.77 PIK3CD (0.55) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL20916079 0.72 GSK3B (0.50) GSK3BDYRK1AWNT1ABL1CLK2
SCHEMBL559016 0.71 GSK3B (0.53) GSK3BDYRK1AWNT1TTK
SCHEMBL558380 0.69 MAP3K5 (0.47) PDPK1GSK3BDYRK1AWNT1ABL1
SCHEMBL25304732 0.69 CYP11B2 (0.60) PDPK1GSK3BDYRK1AABL1CLK2

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
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
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 PDPK1 1031/4885GSK3B 685/4885DYRK1A 1064/4885

“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.

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