SCHEMBL12013122

SCHEMBL12013122

COCCNc1cc(Nc2cc(C#N)cc(CF)c2)nn2c(C#N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 6/20 0.39
▸ CSNK2A1 P68400 5/20 0.39
▸ TYK2 P29597 5/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ EGLN2 Q96KS0 3/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ TNF P01375 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ FGFR4 P22455 2/20 0.32
▸ FYN P06241 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL3314987 0.89 CSNK2A2 (0.39) CSNK2A2CSNK2A1TYK2STAT3EGLN2
SCHEMBL3313276 0.87 CSNK2A2 (0.39) CSNK2A2CSNK2A1TYK2STAT3EGLN2
SCHEMBL2309014 0.87 TYK2 (0.51) CSNK2A2CSNK2A1TYK2STAT3EGLN2
SCHEMBL13641662 0.79 TYK2 (0.39) CSNK2A2CSNK2A1TYK2STAT3IRAK4
SCHEMBL3313469 0.78 CSNK2A2 (0.42) CSNK2A2CSNK2A1TYK2DYRK1AFGFR4
SCHEMBL13644218 0.78 CSNK2A2 (0.41) CSNK2A2TYK2DYRK1AFGFR4
SCHEMBL13422007 0.77 TYK2 (0.52) CSNK2A2TYK2STAT3EGLN2DYRK1A
SCHEMBL12013157 0.77 TYK2 (0.53) CSNK2A2CSNK2A1TYK2STAT3PDE4D
SCHEMBL2357295 0.77 CSNK2A2 (0.41) CSNK2A2CSNK2A1TYK2EGLN2DYRK1A
SCHEMBL13641453 0.76 TYK2 (0.53) CSNK2A2CSNK2A1TYK2STAT3IRAK4

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-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — 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-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885TYK2 393/4885

“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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