SCHEMBL20092220

SCHEMBL20092220

COc1cc(-c2nc(C)nn2C)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 7/20 0.43
LRRK2 Q5S007 3/20 0.33
GRM2 Q14416 8/20 0.32
JAK2 O60674 1/20 0.31
SRC P12931 1/20 0.31
TNK2 Q07912 1/20 0.31
ALK Q9UM73 1/20 0.31
ATR Q13535 1/20 0.30

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
SCHEMBL20091869 0.90 TYK2 (0.42) TYK2LRRK2JAK2SRCTNK2
SCHEMBL20093292 0.90 TYK2 (0.45) TYK2GRM2ATR
SCHEMBL20150251 0.87 TYK2 (0.46) TYK2GRM2
SCHEMBL20092214 0.87 TYK2 (0.60) TYK2JAK2
SCHEMBL20091936 0.87 TYK2 (0.42) TYK2
SCHEMBL20092156 0.85 TYK2 (0.48) TYK2
SCHEMBL20092018 0.85 ALDH1A1 (0.38) TYK2ATR
SCHEMBL20092579 0.84 TYK2 (0.39) TYK2GRM2ATR
SCHEMBL20092203 0.84 TYK2 (0.45) TYK2LRRK2ATR
SCHEMBL20093290 0.79 TYK2 (0.32) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 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 (3 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885LRRK2 269/4885GRM2 2496/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885LRRK2 269/4885GRM2 2496/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885LRRK2 269/4885GRM2 2496/4885

“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.