SCHEMBL3313705

SCHEMBL3313705

Cc1nc2cc(Nc3cc(NC4CC4)c4ncc(C#N)n4n3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 13/20 0.46
▸ CSNK2A1 P68400 13/20 0.46
▸ TYK2 P29597 6/20 0.44
▸ STAT3 P40763 1/20 0.41
▸ CDK2 P24941 2/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL12012913 0.93 CSNK2A2 (0.46) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL3314331 0.83 CSNK2A2 (0.45) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL3309133 0.82 CSNK2A2 (0.48) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL3311746 0.81 TYK2 (0.45) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL12012912 0.81 TYK2 (0.45) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL3315621 0.81 TYK2 (0.49) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL12012916 0.79 TYK2 (0.47) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL3314297 0.79 TYK2 (0.50) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL3315150 0.78 TYK2 (0.46) CSNK2A2CSNK2A1TYK2STAT3CDK2
SCHEMBL3318406 0.78 CSNK2A2 (0.48) CSNK2A2CSNK2A1TYK2STAT3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — US claimed
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 CSNK2A2 135/4885CSNK2A1 88/4885TYK2 393/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885TYK2 393/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885CSNK2A1 88/4885TYK2 393/4885

“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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