SCHEMBL13641722

SCHEMBL13641722

CCCNc1cc(Nc2ccc(C)c(C#N)c2)nn2c(C#N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.39
▸ CSNK2A2 P19784 7/20 0.35
▸ CSNK2A1 P68400 6/20 0.35
▸ HIPK2 Q9H2X6 2/20 0.35
▸ HIPK1 Q86Z02 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ HIPK3 Q9H422 1/20 0.35
▸ STK17A Q9UEE5 1/20 0.35
▸ PRKDC P78527 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ ABCG2 Q9UNQ0 2/20 0.33

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
SCHEMBL3313469 0.90 CSNK2A2 (0.42) TYK2CSNK2A2CSNK2A1
SCHEMBL3311564 0.87 TYK2 (0.36) TYK2CSNK2A2CSNK2A1HIPK2HIPK1
SCHEMBL3309133 0.82 CSNK2A2 (0.48) TYK2CSNK2A2CSNK2A1HIPK2HIPK1
SCHEMBL2358223 0.82 TYK2 (0.38) TYK2CSNK2A2CSNK2A1HIPK2PRKDC
SCHEMBL2309711 0.81 CSNK2A2 (0.40) CSNK2A2CSNK2A1HIPK2HIPK1DYRK2
SCHEMBL13644218 0.79 CSNK2A2 (0.41) TYK2CSNK2A2
SCHEMBL13641662 0.78 TYK2 (0.39) TYK2CSNK2A2CSNK2A1ABCG2ABCB1
SCHEMBL3311742 0.78 CSNK2A1 (0.46) TYK2CSNK2A2CSNK2A1HIPK2HIPK1
SCHEMBL11996471 0.77 MAPK14 (0.40) TYK2CSNK2A2CSNK2A1HIPK2HIPK1
SCHEMBL3315374 0.77 TYK2 (0.38) TYK2CSNK2A2CSNK2A1ABCG2PDE4D

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-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

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-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885CSNK2A2 135/4885CSNK2A1 88/4885

“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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