SCHEMBL3311369

SCHEMBL3311369

COCCNc1cc(Nc2ccc(C)c(OC(N)=O)c2)nn2c(C#N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.40
▸ FGFR4 P22455 9/20 0.37
▸ PDE4D Q08499 4/20 0.36
▸ CSNK2A2 P19784 1/20 0.35
▸ DYRK1A Q13627 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
▸ FYN P06241 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
SCHEMBL11996471 0.86 MAPK14 (0.40) TYK2FGFR4CSNK2A2MAPK14
SCHEMBL3310314 0.85 KCNH2 (0.44) TYK2FGFR4CSNK2A2MAPK14
SCHEMBL12012940 0.85 MAPK14 (0.41) TYK2FGFR4CSNK2A2MAPK14
SCHEMBL3313469 0.85 CSNK2A2 (0.42) TYK2FGFR4CSNK2A2DYRK1A
SCHEMBL3310725 0.84 TYK2 (0.52) TYK2PDE4DCSNK2A2
SCHEMBL13644218 0.81 CSNK2A2 (0.41) TYK2FGFR4CSNK2A2DYRK1A
SCHEMBL3313250 0.77 CSNK2A2 (0.39) FGFR4CSNK2A2DYRK1AFYN
SCHEMBL3313136 0.76 TYK2 (0.49) TYK2PDE4DCSNK2A2
SCHEMBL3311742 0.76 CSNK2A1 (0.46) TYK2PDE4DCSNK2A2DYRK1AMAPK14
SCHEMBL13641722 0.75 TYK2 (0.39) TYK2PDE4DCSNK2A2MAPK13MAPK12

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 6 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-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 TYK2 393/4885FGFR4 1079/4885PDE4D 1445/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885FGFR4 1079/4885PDE4D 1445/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TYK2 393/4885FGFR4 1079/4885PDE4D 1445/4885

“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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