SCHEMBL2358706

SCHEMBL2358706

CC(=O)Nc1cccc(Nc2cc(Nc3ccccc3)c3ncc(C#N)n3n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.51
▸ DYRK3 O43781 2/20 0.51
▸ CCNT1 O60563 2/20 0.51
▸ CCNA2 P20248 2/20 0.51
▸ CDK2 P24941 2/20 0.51
▸ CDK9 P50750 2/20 0.51
▸ CDK5 Q00535 2/20 0.51
▸ DYRK1A Q13627 2/20 0.51
▸ CDK5R1 Q15078 2/20 0.51
▸ DYRK2 Q92630 2/20 0.51
▸ DYRK1B Q9Y463 2/20 0.51
▸ CSNK2A1 P68400 6/20 0.50
▸ PDE4D Q08499 2/20 0.47
▸ CSNK2A2 P19784 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ TGFBR1 P36897 1/20 0.43
▸ FYN P06241 3/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL3311950 0.91 DYRK3 (0.46) TYK2DYRK3CCNT1CCNA2CDK2
SCHEMBL17849953 0.90 TYK2 (0.49) TYK2DYRK3CCNT1CCNA2CDK2
SCHEMBL3313651 0.87 CSNK2A1 (0.58) TYK2DYRK3CCNT1CCNA2CDK2
SCHEMBL13421533 0.85 TYK2 (0.56) TYK2DYRK3CCNT1CCNA2CDK2
SCHEMBL3316421 0.80 TYK2 (0.58) TYK2DYRK3CDK2CSNK2A1PDE4D
SCHEMBL17849713 0.78 TYK2 (0.38) TYK2DYRK3CCNT1CCNA2CDK2
SCHEMBL12012914 0.78 TYK2 (0.53) TYK2CSNK2A1PDE4DCSNK2A2CSNK2B
SCHEMBL2358072 0.78 TYK2 (0.53) TYK2CSNK2A1PDE4DCSNK2A2CSNK2B
SCHEMBL3313502 0.77 TYK2 (0.52) TYK2CSNK2A1PDE4DCSNK2A2CSNK2B
SCHEMBL3307854 0.77 TYK2 (0.52) TYK2DYRK2CSNK2A1PDE4DCSNK2A2

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 18 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-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
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-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
EP-2350081-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-08-03 — — EP 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
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO 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 393/4885DYRK3 1336/4885CCNT1 936/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885DYRK3 1336/4885CCNT1 936/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885DYRK3 1336/4885CCNT1 936/4885

“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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