SCHEMBL3313801

SCHEMBL3313801

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 8/20 0.39
▸ TGFBR1 P36897 1/20 0.36
▸ NR1D1 P20393 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ CYP19A1 P11511 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PYCR1 P32322 1/20 0.33
▸ ACLY P53396 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
SCHEMBL3313865 0.91 PDE1B (0.37) PDE1BTGFBR1NR1D1ALDH1A1NPC1
SCHEMBL26101165 0.90 PDE1B (0.39) PDE1BALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13644224 0.88 PDE1B (0.37) PDE1BTGFBR1NR1D1ALDH1A1LMNA
SCHEMBL3311750 0.88 KDM4E (0.38) PDE1BTGFBR1NR1D1ALDH1A1LMNA
SCHEMBL3313150 0.87 TGFBR1 (0.37) PDE1BTGFBR1NR1D1CTSSCTSK
SCHEMBL26101588 0.87 PDE1B (0.37) PDE1BALDH1A1LMNAMAPTPI4KB
SCHEMBL2358590 0.85 PDE1B (0.37) PDE1BTGFBR1CTSSCTSK
SCHEMBL2358823 0.85 NR1D1 (0.36) PDE1BTGFBR1NR1D1ALDH1A1LMNA
SCHEMBL3314096 0.85 PDE1B (0.34) PDE1BTGFBR1NR1D1ALDH1A1LMNA
SCHEMBL3313261 0.85 PDE1B (0.40) PDE1BTGFBR1NR1D1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377496-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2020-09-16 — — EP disclosed
US-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2019-11-19 — — US disclosed
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2018-11-15 — — US disclosed
EP-3377496-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES Bristol-Myers Squibb Company (US) 2018-09-26 — — EP disclosed
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 (5 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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 PDE1B 1188/4885TGFBR1 427/4885NR1D1 1753/4885
US-20120283241-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PDE1B 1289/4885TGFBR1 2564/4885NR1D1 2735/4885
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, JAK3 PDE1B 1188/4885TGFBR1 427/4885NR1D1 1753/4885
US-20100113458-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PDE1B 1289/4885TGFBR1 2564/4885NR1D1 2735/4885
US-20140179674-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PDE1B 1289/4885TGFBR1 2564/4885NR1D1 2735/4885

“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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