SCHEMBL21948922

SCHEMBL21948922

COc1ccc2c(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)cn(C(C)C)c2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.52
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL21948921 0.93 TYK2 (0.48) TYK2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL21948924 0.88 TYK2 (0.72) TYK2
SCHEMBL21963456 0.88 TYK2 (0.72) TYK2
SCHEMBL20689041 0.87 TYK2 (0.58) TYK2
SCHEMBL21948055 0.85 TYK2 (0.51) TYK2KDM4EALDH1A1HTTNPSR1
SCHEMBL21285359 0.85 CA12 (0.46) TYK2KDM4EALDH1A1HTTNPSR1
SCHEMBL20689333 0.84 TYK2 (0.49) TYK2KDM4EALDH1A1HTTNPSR1
SCHEMBL20689457 0.84 TYK2 (0.52) TYK2KDM4EALDH1A1HTTNPSR1
SCHEMBL21258520 0.83 TYK2 (0.56) TYK2KDM4EALDH1A1
SCHEMBL20689592 0.82 TYK2 (0.67) TYK2

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885MTNR1A 3366/4885MTNR1B 2561/4885

“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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