SCHEMBL12012906

SCHEMBL12012906

[C-]#[N+]c1cnc2c(N(CCN3CCOCC3)Cc3ccc(OC)cc3)cc(Cl)nn12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 12/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NR3C1 P04150 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
SCHEMBL12012904 0.86 PDE1B (0.37) PDE1BALDH1A1HRH1NR3C1
SCHEMBL3314503 0.85 PDE1B (0.41) PDE1BSMN1; SMN2ALDH1A1KDM4E
SCHEMBL12012905 0.84 PDE1B (0.40) PDE1BALDH1A1HRH1
SCHEMBL12012901 0.84 MAPT (0.38) PDE1BALDH1A1HRH1
SCHEMBL12012903 0.83 PDE1B (0.36) PDE1BSMN1; SMN2ALDH1A1HRH1
SCHEMBL12012907 0.80 PDE1B (0.39) PDE1BSMN1; SMN2ALDH1A1
SCHEMBL12012890 0.77 PDE1B (0.34) PDE1BALDH1A1
SCHEMBL12012899 0.77 PDE1B (0.36) PDE1B
SCHEMBL12012887 0.77 PDE1B (0.40) PDE1B
SCHEMBL13644217 0.76 PDE1B (0.40) PDE1BSMN1; SMN2ALDH1A1KDM4ENR3C1

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 1289/4885SMN1; SMN2 4335/4885ALDH1A1 1421/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PDE1B 1289/4885SMN1; SMN2 4335/4885ALDH1A1 1421/4885

“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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