SCHEMBL12012894

SCHEMBL12012894

[C-]#[N+]c1cnc2c(NC3CNC3)cc(Nc3ccc(C)c(NC(C)=O)c3)nn12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.44
▸ CSNK2A2 P19784 3/20 0.44
▸ CSNK2A1 P68400 3/20 0.44
▸ HIPK2 Q9H2X6 2/20 0.44
▸ CSNK2B P67870 2/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ TYK2 P29597 11/20 0.42
▸ KDR P35968 1/20 0.39
▸ MAPK14 Q16539 1/20 0.37
▸ HIPK1 Q86Z02 1/20 0.36
▸ DYRK2 Q92630 1/20 0.36
▸ HIPK3 Q9H422 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ STAT3 P40763 1/20 0.34

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
SCHEMBL2359143 0.85 CSNK2A1 (0.52) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B
SCHEMBL12012900 0.82 MAPK14 (0.40) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B
SCHEMBL12012888 0.79 IDO1 (0.42) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B
SCHEMBL13421481 0.79 TYK2 (0.55) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B
SCHEMBL2356827 0.77 CSNK2A1 (0.61) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B
SCHEMBL12012943 0.76 FYN (0.46) CSNK2A1CDK2MAPK14
SCHEMBL13422044 0.73 TYK2 (0.53) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B
SCHEMBL12012862 0.71 TYK2 (0.64) CSNK2A2CSNK2A1CDK2TYK2PDE4D
SCHEMBL2358973 0.71 CSNK2A1 (0.53) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B
SCHEMBL13421893 0.71 TYK2 (0.53) KCNH2CSNK2A2CSNK2A1HIPK2CSNK2B

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 4 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-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 KCNH2 1283/4885CSNK2A2 135/4885CSNK2A1 88/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 KCNH2 1283/4885CSNK2A2 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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