SCHEMBL12012900

SCHEMBL12012900

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 5/20 0.40
▸ TYK2 P29597 8/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CSNK2A2 P19784 2/20 0.39
▸ CSNK2A1 P68400 2/20 0.39
▸ HIPK2 Q9H2X6 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PDE4D Q08499 6/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ HIPK1 Q86Z02 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33

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
SCHEMBL3311742 0.84 CSNK2A1 (0.46) MAPK14TYK2KCNH2CSNK2A2CSNK2A1
SCHEMBL12012894 0.82 KCNH2 (0.44) MAPK14TYK2KCNH2CSNK2A2CSNK2A1
SCHEMBL12012888 0.81 IDO1 (0.42) MAPK14TYK2KCNH2CSNK2A2CSNK2A1
SCHEMBL12012943 0.79 FYN (0.46) MAPK14CSNK2A1CDK2
SCHEMBL13421530 0.77 TYK2 (0.41) MAPK14TYK2KCNH2CSNK2A2CSNK2A1
SCHEMBL3310314 0.75 KCNH2 (0.44) MAPK14TYK2KCNH2CSNK2A2CSNK2A1
SCHEMBL13422030 0.75 TYK2 (0.42) MAPK14TYK2KCNH2CSNK2A2CSNK2A1
SCHEMBL13422028 0.73 MAPK14 (0.41) MAPK14TYK2KCNH2CSNK2A2CSNK2A1
SCHEMBL12012892 0.73 KCNH2 (0.34) MAPK14KCNH2CSNK2A2CSNK2A1HIPK2
SCHEMBL3316260 0.73 KCNH2 (0.46) MAPK14TYK2KCNH2CSNK2A2CSNK2A1

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 MAPK14 39/4885TYK2 393/4885KCNH2 1283/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 MAPK14 39/4885TYK2 393/4885KCNH2 1283/4885

“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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