SCHEMBL12012888

SCHEMBL12012888

[C-]#[N+]c1cnc2c(Nc3ccc(OC)cn3)cc(Nc3ccc(C)c(NC(C)=O)c3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ KCNH2 Q12809 3/20 0.37
▸ DYRK3 O43781 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ PRKDC P78527 2/20 0.35

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
SCHEMBL2357319 0.85 KCNH2 (0.44) IDO1TDO2KCNH2DYRK3CDK2
SCHEMBL12012892 0.81 KCNH2 (0.34) IDO1TDO2KCNH2DYRK3CDK2
SCHEMBL12012900 0.81 MAPK14 (0.40) KCNH2DYRK3CDK2CSNK2A2GSK3B
SCHEMBL12012894 0.79 KCNH2 (0.44) KCNH2DYRK3CDK2CSNK2A2GSK3B
SCHEMBL13421587 0.78 KCNH2 (0.37) IDO1TDO2KCNH2DYRK3CDK2
SCHEMBL2359241 0.76 KCNH2 (0.42) IDO1TDO2KCNH2DYRK3CDK2
SCHEMBL13421762 0.76 CDK2 (0.40) KCNH2DYRK3CDK2CSNK2A2GSK3B
SCHEMBL12012943 0.75 FYN (0.46) CDK2CSNK2A1MAPK14CCNT1CDK9
SCHEMBL2356820 0.74 CSNK2A2 (0.46) KCNH2DYRK3CDK2CSNK2A2GSK3B
SCHEMBL13421530 0.69 TYK2 (0.41) KCNH2DYRK3CDK2CSNK2A2GSK3B

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 IDO1 2005/4885TDO2 4152/4885KCNH2 1283/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 IDO1 2005/4885TDO2 4152/4885KCNH2 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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