SCHEMBL25069973

SCHEMBL25069973

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3c[nH]c4c(C)cc(C)cc34)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GUCY1A1 Q02108 2/20 0.33
▸ GUCY1B1 Q02153 2/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ HPGD P15428 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ METAP2 P50579 1/20 0.32
▸ NPC1 O15118 4/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ KDR P35968 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
SCHEMBL20697359 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19GUCY1A1GUCY1B1
SCHEMBL25070271 0.83 GPR119 (0.33) KDM4ERAB9AHPGDALDH1A1HIF1A
SCHEMBL21246137 0.76 POLB (0.40) KDM4ERAB9AHPGDALDH1A1HIF1A
SCHEMBL25070273 0.73 BRD4 (0.31) IRAK4
SCHEMBL25070274 0.72 TLR8 (0.32) —
SCHEMBL25069986 0.72 SMN1; SMN2 (0.42) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL21285337 0.70 KDM4E (0.46) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL20689532 0.70 KDM4E (0.41) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL20688924 0.68 KDM4E (0.44) KDM4ERAB9AHPGDALDH1A1NPC1
SCHEMBL26256567 0.68 KDM4E (0.47) KDM4ERAB9AHPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 — — 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 (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-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885

“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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