SCHEMBL12012907

SCHEMBL12012907

[C-]#[N+]c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 14/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ ADORA2A P29274 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PI4KB Q9UBF8 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
SCHEMBL12012904 0.91 PDE1B (0.37) PDE1BALDH1A1LMNAMAPTPI4KB
SCHEMBL12012903 0.88 PDE1B (0.36) PDE1BALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL12012899 0.87 PDE1B (0.36) PDE1BACLY
SCHEMBL12012905 0.85 PDE1B (0.40) PDE1BALDH1A1LMNAMAPTPI4KB
SCHEMBL12012901 0.85 MAPT (0.38) PDE1BALDH1A1LMNAMAPTPI4KB
SCHEMBL12012890 0.85 PDE1B (0.34) PDE1BALDH1A1ACLYLMNAMAPT
SCHEMBL12012887 0.84 PDE1B (0.40) PDE1BLMNAMAPT
SCHEMBL26101562 0.84 PDE1B (0.40) PDE1BALDH1A1ADORA2AACLYLMNA
SCHEMBL26100509 0.84 PDE1B (0.40) PDE1BALDH1A1ADORA2AACLYLMNA
SCHEMBL12012897 0.83 HRH1 (0.41) PDE1BALDH1A1LMNAMAPTSMN1; SMN2

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 PDE1B 1289/4885ALDH1A1 1421/4885ADORA2A 3632/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PDE1B 1289/4885ALDH1A1 1421/4885ADORA2A 3632/4885

“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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