SCHEMBL20504502

SCHEMBL20504502

COc1ccc(CNc2cc(Nc3cc(C)cc(C)c3)nn3c(C#N)cnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 9/20 0.45
▸ PDE4D Q08499 4/20 0.41
▸ TSHR P16473 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL22421811 0.85 TYK2 (0.46) TYK2PDE4DTSHRTP53GAA
SCHEMBL22421810 0.81 PI4KB (0.50) TSHRTP53GAAMAPTLMNA
SCHEMBL3313276 0.74 CSNK2A2 (0.39) TYK2PDE4DTP53GAAMAPT
SCHEMBL20557228 0.74 TYK2 (0.34) TYK2
SCHEMBL3318537 0.73 TYK2 (0.37) TYK2PDE4D
SCHEMBL2357295 0.73 CSNK2A2 (0.41) TYK2TSHRTP53GAAMAPT
SCHEMBL3310738 0.71 PRKCQ (0.40) TYK2TSHRDYRK1A
SCHEMBL20504578 0.71 TYK2 (0.42) TYK2PDE4D
SCHEMBL3313469 0.70 CSNK2A2 (0.42) TYK2DYRK1A
SCHEMBL2357208 0.70 CSNK2A2 (0.33) TYK2TSHR

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 1794/4885TSHR 1170/4885
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885TSHR 1170/4885

“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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