SCHEMBL3313421

SCHEMBL3313421

N#Cc1cnc2c(NC3CC3)cc(Nc3ccc(NCC4COCCN4)c(-n4cnnc4)c3)nn12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 18/20 0.43
▸ TYK2 P29597 2/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ CSNK2A1 P68400 3/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ PHKG1 Q16816 1/20 0.36
▸ HIPK4 Q8NE63 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DAPK2 Q9UIK4 1/20 0.36

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
SCHEMBL13421335 0.89 TYK2 (0.39) CSNK2A2TYK2STAT3CSNK2A1CLK1
SCHEMBL17849714 0.85 CSNK2A2 (0.48) CSNK2A2TYK2STAT3CSNK2A1CLK1
SCHEMBL3311067 0.81 CSNK2A2 (0.65) CSNK2A2TYK2CSNK2A1CLK1CLK2
SCHEMBL3313209 0.81 CSNK2A2 (0.53) CSNK2A2CSNK2A1CLK1CLK2CDK7
SCHEMBL3312928 0.80 CSNK2A2 (0.49) CSNK2A2TYK2CSNK2A1CLK1CLK2
SCHEMBL2358177 0.80 CSNK2A2 (0.62) CSNK2A2TYK2STAT3CSNK2A1
SCHEMBL3313315 0.80 CSNK2A2 (0.59) CSNK2A2TYK2CSNK2A1CLK1CLK2
SCHEMBL3310752 0.80 CSNK2A2 (0.52) CSNK2A2CSNK2A1CLK1CLK2CDK7
SCHEMBL12013318 0.79 CSNK2A2 (0.46) CSNK2A2TYK2STAT3CSNK2A1CLK1
SCHEMBL3312315 0.79 CSNK2A2 (0.46) CSNK2A2TYK2STAT3CSNK2A1CLK1

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 13 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-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-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-8252795-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-28 — — 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
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 — — 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 135/4885TYK2 393/4885STAT3 764/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885TYK2 393/4885STAT3 764/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 CSNK2A2 135/4885TYK2 393/4885STAT3 764/4885

“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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