SCHEMBL3313136

SCHEMBL3313136

CC(=O)Oc1cc(Nc2cc(NC3CC3)c3ncc(C#N)n3n2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.49
▸ STAT3 P40763 1/20 0.46
▸ CSNK2A2 P19784 8/20 0.45
▸ CSNK2A1 P68400 8/20 0.45
▸ KCNH2 Q12809 5/20 0.45
▸ CSNK2B P67870 3/20 0.45
▸ HIPK2 Q9H2X6 2/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ PIM3 Q86V86 1/20 0.45
▸ HIPK1 Q86Z02 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ HIPK3 Q9H422 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL3310725 0.92 TYK2 (0.52) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL2356827 0.86 CSNK2A1 (0.61) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL3313776 0.85 CSNK2A2 (0.53) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL12012924 0.85 CSNK2A2 (0.51) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL3309133 0.84 CSNK2A2 (0.48) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL2358973 0.83 CSNK2A1 (0.53) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL3313132 0.83 TYK2 (0.49) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL3314297 0.83 TYK2 (0.50) TYK2STAT3CSNK2A2CSNK2A1CDK2
SCHEMBL3315621 0.83 TYK2 (0.49) TYK2STAT3CSNK2A2CSNK2A1KCNH2
SCHEMBL11996498 0.82 TYK2 (0.50) TYK2STAT3CSNK2A2CSNK2A1KCNH2

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-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-26 — — US disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP 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-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 (3 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 TYK2 393/4885STAT3 764/4885CSNK2A2 135/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885STAT3 764/4885CSNK2A2 135/4885
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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