SCHEMBL22426020

SCHEMBL22426020

COc1cc(F)c(COCC(C)NC(=O)c2cnc3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nn23)cc1N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.34
▸ TYK2 P29597 3/20 0.31
▸ PDE4D Q08499 3/20 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
SCHEMBL22425758 1.00 P2RX3 (0.34) P2RX3TYK2PDE4DMALT1
SCHEMBL22425931 0.89 TYK2 (0.32) P2RX3TYK2PDE4DMALT1
SCHEMBL22425928 0.88 P2RX3 (0.36) P2RX3TYK2PDE4DMALT1
SCHEMBL22425745 0.88 P2RX3 (0.36) P2RX3TYK2PDE4DMALT1
SCHEMBL22425927 0.88 P2RX3 (0.36) P2RX3TYK2PDE4DMALT1
SCHEMBL28662214 0.88 ABL1 (0.35) P2RX3TYK2PDE4D
SCHEMBL22425760 0.87 P2RX3 (0.36) P2RX3TYK2PDE4DMALT1
SCHEMBL24500229 0.84 P2RX3 (0.31) P2RX3MALT1
SCHEMBL22426025 0.82 MALT1 (0.33) P2RX3MALT1
SCHEMBL22411790 0.81 P2RX3 (0.32) P2RX3MALT1

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 3 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
CN-113811534-A TYK2 inhibitors and uses thereof 埃斯克疗法股份有限公司 2021-12-17 — — CN 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 P2RX3 3708/4885TYK2 1/4885PDE4D 4067/4885

“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.

Send feedback