SCHEMBL3313150

SCHEMBL3313150

COc1ccc(CN(c2cc(Cl)nn3c(C#N)cnc23)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.37
▸ APLNR P35414 3/20 0.37
▸ PDE1B Q01064 7/20 0.36
▸ NR1D1 P20393 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ STS P08842 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL13644223 0.89 TGFBR1 (0.35) TGFBR1APLNRPDE1BNR1D1CTSS
SCHEMBL3313865 0.88 PDE1B (0.37) TGFBR1PDE1BNR1D1PI4KBCTSS
SCHEMBL3313801 0.87 PDE1B (0.39) TGFBR1PDE1BNR1D1PI4KBCTSS
SCHEMBL3311750 0.85 KDM4E (0.38) TGFBR1PDE1BNR1D1PI4KBCTSS
SCHEMBL2358590 0.83 PDE1B (0.37) TGFBR1PDE1BCTSSCTSK
SCHEMBL2358823 0.83 NR1D1 (0.36) TGFBR1PDE1BNR1D1KDM4E
SCHEMBL3311803 0.83 MAPT (0.38) TGFBR1APLNRPDE1BNR1D1PI4KB
SCHEMBL3313261 0.83 PDE1B (0.40) TGFBR1PDE1BNR1D1PI4KB
SCHEMBL3314096 0.83 PDE1B (0.34) TGFBR1PDE1BNR1D1PI4KBCTSS
SCHEMBL12012899 0.82 PDE1B (0.36) APLNRPDE1BACLYTAAR1

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 11 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
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-26 — — US disclosed
EP-2350081-B1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP 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
WO-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO 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 (3 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 TGFBR1 2564/4885APLNR 3605/4885PDE1B 1289/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TGFBR1 2564/4885APLNR 3605/4885PDE1B 1289/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 TGFBR1 2564/4885APLNR 3605/4885PDE1B 1289/4885

“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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