SCHEMBL12012892

SCHEMBL12012892

[C-]#[N+]c1cnc2c(N(Cc3ccc(OC)cc3)c3ccc(OC)cn3)cc(Nc3ccc(C)c(NC(C)=O)c3)nn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CSNK2B P67870 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BMX P51813 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ KDR P35968 1/20 0.32

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
SCHEMBL3313987 0.88 CSNK2A1 (0.40) KCNH2DYRK3CSNK2A2CDK2GSK3B
SCHEMBL12012888 0.81 IDO1 (0.42) KCNH2DYRK3CSNK2A2CDK2GSK3B
SCHEMBL12012890 0.76 PDE1B (0.34) ALDH1A1MAPTLMNA
SCHEMBL12012900 0.73 MAPK14 (0.40) KCNH2DYRK3CSNK2A2CDK2GSK3B
SCHEMBL12012894 0.70 KCNH2 (0.44) KCNH2DYRK3CSNK2A2CDK2GSK3B
SCHEMBL12012943 0.69 FYN (0.46) CDK2CSNK2A1MAPK14
SCHEMBL2357319 0.68 KCNH2 (0.44) KCNH2DYRK3CSNK2A2CDK2GSK3B
SCHEMBL12012897 0.68 HRH1 (0.41) KCNH2ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL2357242 0.68 SMN1; SMN2 (0.33) KCNH2GSK3BALDH1A1SMN1; SMN2MAPT
SCHEMBL13422004 0.64 MEN1 (0.36) KCNH2ALDH1A1SMN1; SMN2NPC1RAB9A

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 KCNH2 1283/4885DYRK3 1336/4885CSNK2A2 135/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 KCNH2 1283/4885DYRK3 1336/4885CSNK2A2 135/4885

“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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