SCHEMBL12012935

SCHEMBL12012935

COC(=O)Nc1cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)cc(C(=O)NC2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.44
▸ TYK2 P29597 8/20 0.44
▸ PDE4D Q08499 2/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ IRAK4 Q9NWZ3 4/20 0.42

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
SCHEMBL11996476 0.92 TTK (0.48) TTKTYK2PDE4DSTAT3IRAK4
SCHEMBL13421349 0.89 TYK2 (0.47) TTKTYK2PDE4DSTAT3
SCHEMBL3311355 0.87 TYK2 (0.47) TTKTYK2PDE4DSTAT3IRAK4
SCHEMBL12012908 0.85 TYK2 (0.49) TYK2PDE4DSTAT3
SCHEMBL12012909 0.83 TYK2 (0.62) TYK2PDE4DSTAT3
SCHEMBL12012937 0.83 TYK2 (0.47) TYK2PDE4DSTAT3
SCHEMBL3309676 0.83 TTK (0.43) TTKTYK2PDE4DSTAT3IRAK4
SCHEMBL12012914 0.82 TYK2 (0.53) TYK2PDE4DSTAT3
SCHEMBL12012925 0.79 TYK2 (0.47) TYK2PDE4DSTAT3
SCHEMBL12012924 0.78 CSNK2A2 (0.51) TYK2PDE4DSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US disclosed
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
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 (2 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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TTK 276/4885TYK2 393/4885PDE4D 1445/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TTK 276/4885TYK2 393/4885PDE4D 1445/4885

“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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