SCHEMBL12012895

SCHEMBL12012895

[C-]#[N+]c1cnc2c(N(Cc3ccc(OC)cc3)C3CN(C(=O)OC(C)(C)C)C3)cc(Cl)nn12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CETP P11597 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RORC P51449 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
SCHEMBL3311739 0.86 SLC2A1 (0.39) SLC2A1KDM1AAXLMERTKGPR119
SCHEMBL12012887 0.85 PDE1B (0.40) LMNAMEN1KMT2AMAPT
SCHEMBL12013166 0.78 SLC2A1 (0.39) SLC2A1AXLMERTKGPR119TP53
SCHEMBL12012904 0.77 PDE1B (0.37) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL12012907 0.76 PDE1B (0.39) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL12012903 0.75 PDE1B (0.36) TP53LMNAALDH1A1MEN1KMT2A
SCHEMBL20504495 0.75 PDE1B (0.38) MEN1KMT2A
SCHEMBL12012901 0.74 MAPT (0.38) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL12012899 0.74 PDE1B (0.36) —
SCHEMBL13421283 0.73 PDE1B (0.39) —

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 SLC2A1 3133/4885KDM1A 1192/4885AXL 786/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 SLC2A1 3133/4885KDM1A 1192/4885AXL 786/4885

“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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