SCHEMBL20150108

SCHEMBL20150108

COc1c(-c2cncs2)cccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.37
IDO1 P14902 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
HDAC4 P56524 1/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
LRRK2 Q5S007 1/20 0.32
BDKRB2 P30411 1/20 0.32
LIMK1 P53667 1/20 0.32
USP2 O75604 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 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
SCHEMBL15577032 0.81 IDO1 (0.42) AAK1IDO1IMPDH2HDAC4LIMK1
SCHEMBL17194923 0.80 HTT (0.36) AAK1IDO1IMPDH2IMPDH1TSHR
SCHEMBL21784449 0.77 TYK2 (0.41) TSHRALOX15LIMK1PDE10A
SCHEMBL20150115 0.74 CYP17A1 (0.35) AAK1TSHRALOX15HPGDFAAH
SCHEMBL20150100 0.73 MGAM (0.38) TSHRALOX15HPGDALDH1A1HSD17B10
SCHEMBL27602081 0.72 IMPDH2 (0.44) AAK1IMPDH2IMPDH1HDAC4LRRK2
SCHEMBL28815684 0.72 IDO1 (0.40) AAK1IDO1IMPDH2HDAC4TSHR
SCHEMBL20150098 0.72 AAK1 (0.46) AAK1IMPDH2IMPDH1
SCHEMBL20150109 0.71 TSHR (0.38) TSHRALOX15HPGDALDH1A1KMT2A
SCHEMBL10249258 0.71 TSHR (0.44) AAK1IDO1IMPDH2HDAC4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 US disclosed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 US disclosed
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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 146/4885IDO1 429/4885IMPDH2 4304/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 AAK1 146/4885IDO1 429/4885IMPDH2 4304/4885

“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.