SCHEMBL20093145

SCHEMBL20093145

CSc1cc(C2=NCC(C)(C)O2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.34
CNR2 P34972 1/20 0.32
ROCK1 Q13464 1/20 0.31
TYK2 P29597 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
SCHEMBL20092180 0.74 TYK2 (0.44) ROCK1TYK2
SCHEMBL20410835 0.74 ROCK1 (0.35) CNR2ROCK1TYK2
SCHEMBL20093177 0.73 HTT (0.47) AAK1ROCK1
SCHEMBL11528651 0.73 AAK1 (0.50) AAK1
SCHEMBL20410853 0.73 CNR2 (0.41) CNR2ROCK1
SCHEMBL20410842 0.71 ROCK1 (0.43) CNR2ROCK1TYK2
SCHEMBL20410862 0.70 CNR2 (0.43) CNR2ROCK1
SCHEMBL20410951 0.69 CNR2 (0.32) CNR2ROCK1TYK2
SCHEMBL20410968 0.69 CNR2 (0.38) CNR2ROCK1
SCHEMBL9607171 0.67 ALDH1A1 (0.40)

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 AAK1 146/4885CNR2 3535/4885ROCK1 411/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885CNR2 3535/4885ROCK1 411/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 AAK1 146/4885CNR2 3535/4885ROCK1 411/4885

“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.