SCHEMBL12013166

SCHEMBL12013166

COc1ccc(CN(c2cc(C)nn3c(C#N)cnc23)C2CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.39
▸ GPR119 Q8TDV5 4/20 0.37
▸ AXL P30530 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ SMPD3 Q9NY59 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ CETP P11597 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GPR4 P46093 1/20 0.34
▸ EPHX2 P34913 1/20 0.33

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 0.92 SLC2A1 (0.39) SLC2A1GPR119AXLMERTKHTT
SCHEMBL13644216 0.85 PDE1B (0.39) —
SCHEMBL13644222 0.78 VNN1 (0.34) SLC2A1MEN1KMT2A
SCHEMBL12012895 0.78 SLC2A1 (0.37) SLC2A1GPR119AXLMERTKHTT
SCHEMBL13644231 0.77 LMNA (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2358590 0.77 PDE1B (0.37) —
SCHEMBL13644224 0.76 PDE1B (0.37) MEN1KMT2AALDH1A1
SCHEMBL3311090 0.76 PDE1B (0.40) MEN1KMT2A
SCHEMBL13644230 0.74 LMNA (0.39) SMPD3MEN1KMT2AALDH1A1KDM4E
SCHEMBL13644223 0.74 TGFBR1 (0.35) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3133/4885GPR119 3155/4885AXL 786/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 SLC2A1 3133/4885GPR119 3155/4885AXL 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.

Send feedback