SCHEMBL20049849

SCHEMBL20049849

COC(=O)c1nc(C)sc1Nc1cc(N(C)Cc2ccc(OC)cc2)c2ncc(C(=O)NC3CC3)n2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ TTK P33981 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ F10 P00742 1/20 0.35

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
SCHEMBL20049793 0.95 TYK2 (0.39) TYK2PDE4DTTKNTRK1CNR1
SCHEMBL20049795 0.94 TYK2 (0.41) TYK2PDE4DTTKNTRK1CNR1
SCHEMBL21175213 0.94 TYK2 (0.42) TYK2PDE4DTTKNTRK1
SCHEMBL20049790 0.90 TYK2 (0.42) TYK2PDE4DTTKNTRK1F10
SCHEMBL20049758 0.86 TYK2 (0.42) TYK2PDE4DTTKNTRK1CNR1
SCHEMBL21175158 0.85 TYK2 (0.43) TYK2PDE4DNTRK1CNR1CNR2
SCHEMBL20049749 0.84 TYK2 (0.45) TYK2PDE4DTTK
SCHEMBL20049473 0.83 TYK2 (0.43) TYK2PDE4DCNR1CNR2
SCHEMBL24085369 0.83 TYK2 (0.41) TYK2PDE4DTTKNTRK1CNR1
SCHEMBL20049765 0.82 TYK2 (0.46) TYK2PDE4DTTK

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-3523305-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2021-12-08 — — EP disclosed
US-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 — — US disclosed
US-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-07-25 — — US disclosed
WO-2018067432-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-12 — — 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 (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-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, IFNAR1 TYK2 1/4885PDE4D 2365/4885TTK 93/4885
US-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses TYK2, IL2, IFNAR1 TYK2 1/4885PDE4D 2200/4885TTK 106/4885

“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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