SCHEMBL21227382

SCHEMBL21227382

CNc1cccc(N2CC3(CCO3)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.46
▸ ACACB O00763 1/20 0.36
▸ FFAR1 O14842 1/20 0.33
▸ PDCD1LG2 Q9BQ51 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ KIF18A Q8NI77 6/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ NCF1 P14598 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
SCHEMBL20697004 0.85 TYK2 (0.41) TYK2ACACBFFAR1PDCD1LG2CD274
SCHEMBL20688189 0.82 SOS1 (0.39) TYK2ACACBKIF18ASYKPIK3CA
SCHEMBL20688222 0.82 SOS1 (0.39) TYK2ACACBKIF18ASYKPIK3CA
SCHEMBL12075897 0.81 TYK2 (0.44) TYK2KIF18A
SCHEMBL20688223 0.81 TYK2 (0.51) TYK2ACACBKIF18AKCNH2SLC6A2
SCHEMBL12958833 0.80 HTR3E (0.50) TYK2KCNH2
SCHEMBL12654062 0.77 GRIN2D (0.44) TYK2FFAR1PDCD1LG2CD274SLC6A2
SCHEMBL1812392 0.77 TYK2 (0.42) TYK2KIF18A
SCHEMBL15999338 0.77 ACACB (0.36) TYK2ACACBFFAR1PDCD1LG2CD274
SCHEMBL13073621 0.75 ALDH1A1 (0.49) KIF18APIM1PIM3PIM2PIK3CA

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 1/4885ACACB 2158/4885FFAR1 4510/4885

“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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