SCHEMBL21227356

SCHEMBL21227356

CNc1cccn(C2CCCN(C)C2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 12/20 0.51
▸ HTR2B P41595 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ HTR6 P50406 3/20 0.39
▸ KAT2B Q92831 2/20 0.38
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ADRA1B P35368 1/20 0.37

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
SCHEMBL21258453 1.00 TYK2 (0.51) TYK2HTR2BTMEM97HTR6KAT2B
SCHEMBL20688117 1.00 TYK2 (0.51) TYK2HTR2BTMEM97HTR6KAT2B
SCHEMBL20688123 0.86 TYK2 (0.45) TYK2HTR2BTMEM97HTR6KAT2B
SCHEMBL20697213 0.86 TYK2 (0.45) TYK2HTR2BTMEM97HTR6KAT2B
SCHEMBL20688129 0.86 TYK2 (0.45) TYK2HTR2BTMEM97HTR6KAT2B
SCHEMBL22273177 0.85 TYK2 (0.44) TYK2HTR2BTMEM97HTR6KAT2B
SCHEMBL20689303 0.84 TYK2 (0.48) TYK2HTR2BTMEM97HTR6
SCHEMBL22272836 0.84 TYK2 (0.49) TYK2
SCHEMBL20687680 0.83 TYK2 (0.54) TYK2
SCHEMBL20687639 0.82 TYK2 (0.48) TYK2ADRA1AHRH1ADRA1B

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 1/4885HTR2B 3398/4885TMEM97 4130/4885

“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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