SCHEMBL21961721

SCHEMBL21961721

CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CCOCC4)c4ncc(F)cc34)nc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.51
▸ PDE4B Q07343 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40

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
SCHEMBL21948011 0.93 TYK2 (0.55) TYK2
SCHEMBL21227479 0.91 TYK2 (0.52) TYK2
SCHEMBL21961722 0.87 TYK2 (0.58) TYK2
SCHEMBL21961724 0.86 TYK2 (0.71) TYK2
SCHEMBL21948016 0.86 TYK2 (0.71) TYK2
SCHEMBL21961723 0.86 TYK2 (0.71) TYK2
SCHEMBL21948009 0.86 TYK2 (0.71) TYK2
SCHEMBL20689035 0.86 TYK2 (0.49) TYK2KDM4EHSD17B10HPGDNPC1
SCHEMBL20689332 0.85 TYK2 (0.46) TYK2KDM4EHSD17B10HPGDNPC1
SCHEMBL21947241 0.84 TYK2 (0.48) TYK2KDM4EHSD17B10HPGDNPC1

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885PDE4B 4309/4885KDM4E 391/4885

“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