SCHEMBL22343331

SCHEMBL22343331

CCOC(=O)c1cnn2c(NC)cc(Nc3cc(C)cc(C)c3)nc12

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46

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
SCHEMBL22323999 0.87 TYK2 (0.73) TYK2PDE4DKDM4E
SCHEMBL22343290 0.86 TYK2 (0.65) TYK2PDE4DALDH1A1HPGDHSD17B10
SCHEMBL22343291 0.84 TYK2 (0.77) TYK2PDE4D
SCHEMBL20679020 0.84 TYK2 (0.83) TYK2PDE4D
SCHEMBL21948230 0.82 KDM4E (0.53) TYK2KDM4ENPC1ALDH1A1HPGD
SCHEMBL22324403 0.81 TYK2 (0.69) TYK2PDE4D
SCHEMBL21887788 0.81 TYK2 (0.53) TYK2PDE4DKDM4ENPC1ALDH1A1
SCHEMBL30349558 0.81 TYK2 (0.61) TYK2PDE4DKDM4ENPC1ALDH1A1
SCHEMBL21811191 0.81 TYK2 (0.61) TYK2PDE4DKDM4ENPC1ALDH1A1
SCHEMBL20689018 0.81 KDM4E (0.52) TYK2KDM4ENPC1ALDH1A1HPGD

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-20220135567-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2022-05-05 — — US disclosed
WO-2020163778-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-08-13 — — 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-20220135567-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B TYK2 1/4885PDE4D 4544/4885KDM4E 2268/4885

“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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