SCHEMBL20504588

SCHEMBL20504588

COc1ccc(CN(C)c2cc(Nc3cccnc3OC)nn3c(C(=O)O)cnc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.39
▸ PDE4D Q08499 2/20 0.36
▸ ZAP70 P43403 1/20 0.36
▸ KARS1 Q15046 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34

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
SCHEMBL20504574 0.90 IDO1 (0.37) TYK2PDE4DCLK1CLK2DYRK1A
SCHEMBL24263403 0.88 TYK2 (0.48) TYK2PDE4DZAP70KARS1JAK1
SCHEMBL24263509 0.88 GPR6 (0.35) TYK2PDE4DZAP70KARS1CLK1
SCHEMBL16794686 0.86 TYK2 (0.47) TYK2PDE4D
SCHEMBL24263286 0.84 TYK2 (0.55) TYK2JAK1
SCHEMBL31245725 0.84 TYK2 (0.55) TYK2JAK1
SCHEMBL31245724 0.84 TYK2 (0.53) TYK2
SCHEMBL24263413 0.84 TYK2 (0.41) TYK2PDE4D
SCHEMBL20504586 0.82 TYK2 (0.46) TYK2PDE4D
SCHEMBL24263397 0.82 TYK2 (0.46) TYK2PDE4DHPGD

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 5 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
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

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-10479793-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885ZAP70 114/4885
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885ZAP70 114/4885

“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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