SCHEMBL2359440

SCHEMBL2359440

CN(C(=O)O)c1cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.48
▸ STAT3 P40763 1/20 0.46
▸ CSNK2A2 P19784 10/20 0.41
▸ CSNK2A1 P68400 10/20 0.41
▸ CSNK2B P67870 3/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ HIPK2 Q9H2X6 3/20 0.40
▸ DYRK3 O43781 2/20 0.40
▸ HIPK1 Q86Z02 2/20 0.40
▸ DYRK2 Q92630 2/20 0.40
▸ HIPK3 Q9H422 2/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HIPK4 Q8NE63 1/20 0.40
▸ DYRK4 Q9NR20 1/20 0.40
▸ DAPK2 Q9UIK4 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39

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
SCHEMBL2359458 0.91 TYK2 (0.49) TYK2STAT3CSNK2A2CSNK2A1CSNK2B
SCHEMBL2357715 0.88 TYK2 (0.44) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL3313948 0.85 TYK2 (0.51) TYK2STAT3CSNK2A2CSNK2A1CSNK2B
SCHEMBL2357817 0.85 TYK2 (0.38) TYK2STAT3HIPK2CDK2GSK3B
SCHEMBL3315482 0.84 CSNK2A1 (0.49) TYK2STAT3CSNK2A2CSNK2A1CSNK2B
SCHEMBL12012910 0.83 TYK2 (0.47) TYK2STAT3CSNK2A2CSNK2A1CSNK2B
SCHEMBL3318406 0.82 CSNK2A2 (0.48) TYK2STAT3CSNK2A2CSNK2A1CSNK2B
SCHEMBL3318815 0.82 TYK2 (0.48) TYK2STAT3CSNK2A2CSNK2A1CDK2
SCHEMBL11996481 0.81 TYK2 (0.49) TYK2STAT3CSNK2A2CSNK2A1CSNK2B
SCHEMBL3310711 0.81 TYK2 (0.51) TYK2STAT3CSNK2A2CSNK2A1CSNK2B

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 3 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-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-26 — — US disclosed
EP-2350081-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-08-03 — — EP 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-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885CSNK2A2 135/4885

“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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