SCHEMBL20557571

SCHEMBL20557571

COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCC(C)(O)CO)cnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.46
▸ PDE4D Q08499 6/20 0.46
▸ NR3C1 P04150 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CLK1 P49759 4/20 0.34
▸ PDE1B Q01064 3/20 0.34
▸ EGLN2 Q96KS0 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ PDE2A O00408 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
SCHEMBL20557570 1.00 TYK2 (0.46) TYK2PDE4DNR3C1MEN1KMT2A
SCHEMBL16794695 0.93 TYK2 (0.44) TYK2PDE4DNR3C1MEN1KMT2A
SCHEMBL16794714 0.93 TYK2 (0.49) TYK2PDE4DNR3C1MEN1KMT2A
SCHEMBL16812479 0.90 TYK2 (0.40) TYK2PDE4DNR3C1MEN1KMT2A
SCHEMBL16812493 0.87 NR3C1 (0.39) NR3C1MEN1KMT2ACLK1PDE1B
SCHEMBL16812352 0.85 PDE1B (0.38) NR3C1MEN1KMT2APDE1BACLY
SCHEMBL16812354 0.85 CDK5 (0.39) NR3C1MEN1KMT2ACLK1PDE1B
SCHEMBL16812355 0.84 ALDH1A1 (0.39) TYK2NR3C1MEN1KMT2APDE1B
SCHEMBL16812480 0.83 JAK1 (0.38) TYK2PDE4DNR3C1MEN1KMT2A
SCHEMBL16794676 0.82 PDE1B (0.40) NR3C1MEN1KMT2APDE1BACLY

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 4 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

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 1794/4885NR3C1 1291/4885
US-20180325899-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, JAK3 TYK2 1/4885PDE4D 1794/4885NR3C1 1291/4885

“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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