SCHEMBL20697252

SCHEMBL20697252

CC(C)c1cn(CCCO)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.53
PRKCB P05771 6/20 0.53
PRKCA P17252 3/20 0.47
PRKCG P05129 1/20 0.47
CNR2 P34972 10/20 0.47
CNR1 P21554 9/20 0.47
IDH1 O75874 1/20 0.41

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
SCHEMBL20697023 0.87 CNR2 (0.53) GSK3BPRKCBCNR2CNR1
SCHEMBL20688049 0.81 GSK3B (0.56) GSK3BPRKCBPRKCAPRKCGCNR2
SCHEMBL18993230 0.81 DYRK1A (0.49) GSK3BPRKCBCNR2CNR1
SCHEMBL21227337 0.78 GSK3B (0.53) GSK3BPRKCBPRKCAPRKCGCNR2
SCHEMBL21245970 0.77 HTR6 (0.42) GSK3BCNR2CNR1
SCHEMBL21227429 0.77 HTR6 (0.49) CNR2CNR1
SCHEMBL21600843 0.77 CNR2 (0.52) GSK3BPRKCBPRKCACNR2CNR1
SCHEMBL21227426 0.76 CNR2 (0.50) GSK3BCNR2CNR1
SCHEMBL21227335 0.76 REN (0.45) GSK3BPRKCBPRKCA
SCHEMBL820570 0.76 DYRK1A (0.47) GSK3BIDH1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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 (6 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GSK3B 122/4885PRKCB 460/4885PRKCA 705/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GSK3B 122/4885PRKCB 460/4885PRKCA 705/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GSK3B 122/4885PRKCB 460/4885PRKCA 705/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GSK3B 122/4885PRKCB 460/4885PRKCA 705/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GSK3B 122/4885PRKCB 460/4885PRKCA 705/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GSK3B 122/4885PRKCB 460/4885PRKCA 705/4885

“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.