SCHEMBL20697357

SCHEMBL20697357

CC(C)(C)OC(=O)Nc1cccn(C2CCC3(CC2)OCCO3)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.39
NTRK1 P04629 1/20 0.39
HTR1B P28222 1/20 0.39
FLT3 P36888 1/20 0.39
ROCK1 Q13464 1/20 0.39
NTRK2 Q16620 1/20 0.39
ALDH1A1 P00352 5/20 0.38
ELANE P08246 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GPR139 Q6DWJ6 1/20 0.35
BRD9 Q9H8M2 1/20 0.35

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
SCHEMBL31245702 0.86 ELANE (0.38) IRAK4NTRK1HTR1BFLT3ROCK1
SCHEMBL20689650 0.86 TYK2 (0.43) IRAK4NTRK1HTR1BFLT3ROCK1
SCHEMBL27354928 0.86 ELANE (0.41) IRAK4NTRK1HTR1BFLT3ROCK1
SCHEMBL20689226 0.86 TYK2 (0.43) IRAK4NTRK1HTR1BFLT3ROCK1
SCHEMBL27357534 0.86 TYK2 (0.40) IRAK4ELANEOPRM1OPRD1OGFRL1
SCHEMBL21246072 0.84 OPRM1 (0.45) IRAK4ELANEOPRM1OPRD1OGFRL1
SCHEMBL20689215 0.84 TYK2 (0.44) IRAK4NTRK1HTR1BFLT3ROCK1
SCHEMBL20689506 0.84 TYK2 (0.44) IRAK4NTRK1HTR1BFLT3ROCK1
SCHEMBL20689441 0.83 OPRM1 (0.49) IRAK4ALDH1A1ELANEOPRM1OPRD1
SCHEMBL20697397 0.82 TYK2 (0.47) IRAK4NTRK1HTR1BFLT3ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
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-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 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 (12 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 IRAK4 30/4885NTRK1 1155/4885HTR1B 3065/4885

“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.