SCHEMBL12012942

SCHEMBL12012942

COc1ccc(CN(c2cccc(C(=O)OC(C)(C)C)c2)c2cc(Cl)nn3c(C#N)cnc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BCL2A1 Q16548 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ FYN P06241 1/20 0.32
▸ PDE1B Q01064 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ AR P10275 2/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL13644222 0.92 VNN1 (0.34) VNN1ADORA2AMEN1KMT2ASLC2A1
SCHEMBL2358411 0.90 PPARA (0.40) VNN1MEN1KMT2ABCL2A1PPARA
SCHEMBL13421767 0.89 MEN1 (0.35) MEN1KMT2ABCL2A1SLC2A1FYN
SCHEMBL2357847 0.84 RAD52 (0.45) FYN
SCHEMBL2358823 0.84 NR1D1 (0.36) MEN1KMT2ABCL2A1PDE1BMAPT
SCHEMBL2358664 0.81 MCHR1 (0.39) MEN1KMT2APDE1BMCHR1L3MBTL1
SCHEMBL25231135 0.79 PDE1B (0.35) ADORA2AMEN1KMT2AFYNPDE1B
SCHEMBL3311739 0.78 SLC2A1 (0.39) SLC2A1
SCHEMBL13422049 0.78 MEP1B (0.40) MEN1KMT2ABCL2A1NR1H4PPARA
SCHEMBL3314096 0.77 PDE1B (0.34) KMT2APDE1BMAPT

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 8 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-9371328-B2 Imidazopyridazinecarbonitriles useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-21 — — US disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP 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-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
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 VNN1 3169/4885ADORA2A 3632/4885MEN1 1861/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 VNN1 3169/4885ADORA2A 3632/4885MEN1 1861/4885

“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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