SCHEMBL12012887

SCHEMBL12012887

[C-]#[N+]c1cnc2c(N(Cc3ccc(OC)cc3)C3CCC3)cc(Cl)nn12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 16/20 0.40
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCR5 P51681 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL12012895 0.85 SLC2A1 (0.37) MEN1LMNAMAPTKMT2A
SCHEMBL12012904 0.85 PDE1B (0.37) PDE1BMEN1LMNAMAPTTSHR
SCHEMBL12012907 0.84 PDE1B (0.39) PDE1BLMNAMAPT
SCHEMBL3311090 0.83 PDE1B (0.40) PDE1BMEN1LMNAMAPTTSHR
SCHEMBL12012903 0.83 PDE1B (0.36) PDE1BMEN1LMNAMAPTTSHR
SCHEMBL13421283 0.83 PDE1B (0.39) PDE1BCCR5
SCHEMBL12012899 0.82 PDE1B (0.36) PDE1B
SCHEMBL2358590 0.80 PDE1B (0.37) PDE1BCCR5
SCHEMBL12012905 0.80 PDE1B (0.40) PDE1BMEN1LMNAMAPTTSHR
SCHEMBL12012890 0.80 PDE1B (0.34) PDE1BLMNAMAPT

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 1289/4885MEN1 1861/4885LMNA 3149/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PDE1B 1289/4885MEN1 1861/4885LMNA 3149/4885

“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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