SCHEMBL22425931

SCHEMBL22425931

COc1c(N)cc(COC[C@@H](C)NC(=O)c2cnc3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn23)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.30

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
SCHEMBL22425760 0.90 P2RX3 (0.36) TYK2PDE4DP2RX3MALT1
SCHEMBL22426020 0.89 P2RX3 (0.34) TYK2PDE4DP2RX3MALT1
SCHEMBL22425758 0.89 P2RX3 (0.34) TYK2PDE4DP2RX3MALT1
SCHEMBL31681372 0.88 TYK2 (0.35) TYK2PDE4DP2RX3
SCHEMBL28658803 0.88 TYK2 (0.35) TYK2PDE4DP2RX3
SCHEMBL24500229 0.84 P2RX3 (0.31) P2RX3MALT1
SCHEMBL22425928 0.84 P2RX3 (0.36) TYK2PDE4DP2RX3MALT1
SCHEMBL22425927 0.84 P2RX3 (0.36) TYK2PDE4DP2RX3MALT1
SCHEMBL22425745 0.84 P2RX3 (0.36) TYK2PDE4DP2RX3MALT1
SCHEMBL28665654 0.82 TYK2 (0.35) TYK2PDE4DP2RX3MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — 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 (1 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 TYK2 1/4885PDE4D 4067/4885P2RX3 3708/4885

“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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