SCHEMBL21227598

SCHEMBL21227598

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(Cl)cn(CC)c3=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.43
▸ SYK P43405 1/20 0.34
▸ P2RX3 P56373 5/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TRPC1 P48995 1/20 0.31
▸ TRPC3 Q13507 1/20 0.31
▸ STIM1 Q13586 1/20 0.31
▸ ORAI1 Q96D31 1/20 0.31
▸ STIM2 Q9P246 1/20 0.31

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
SCHEMBL20689269 0.85 TYK2 (0.55) TYK2SYKALDH1A1MAPTGAA
SCHEMBL21246137 0.81 POLB (0.40) SYKTP53POLBALDH1A1LMNA
SCHEMBL20689267 0.79 TYK2 (0.58) TYK2
SCHEMBL21285358 0.78 TYK2 (0.41) TYK2SYK
SCHEMBL20689268 0.74 TYK2 (0.53) TYK2
SCHEMBL21285336 0.73 TYK2 (0.45) TYK2
SCHEMBL20688924 0.71 KDM4E (0.44) SYKTP53POLBALDH1A1LMNA
SCHEMBL20689050 0.70 TYK2 (0.47) TYK2SYKTP53ALDH1A1MAPT
SCHEMBL21285337 0.69 KDM4E (0.46) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL21238770 0.68 KMT2A (0.35) P2RX3ALDH1A1MAPTMEN1KMT2A

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-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — 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-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885SYK 39/4885P2RX3 3910/4885

“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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