SCHEMBL20150107

SCHEMBL20150107

COc1c(C(C)C)cccc1-n1ccnn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.47
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KEAP1 Q14145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRNB2 P17787 1/20 0.35
CYP2B6 P20813 1/20 0.35
MAOA P21397 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
USP1 O94782 3/20 0.34
WDR48 Q8TAF3 3/20 0.34
USP7 Q93009 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL20150084 0.81 NPC1 (0.44) NOTUMALOX15TSHRALDH1A1MAPT
SCHEMBL19589426 0.80 NOTUM (0.46) NOTUMTSHRKEAP1CYP1A2CYP2C9
SCHEMBL21376045 0.79 NOTUM (0.49) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL26031185 0.77 NOTUM (0.47) NOTUMKEAP1ALDH1A1MAPTCYP19A1
SCHEMBL24026462 0.77 NOTUM (0.47) NOTUMKEAP1CYP1A2CYP2C9CHRNB2
SCHEMBL20230855 0.77 NOTUM (0.47) NOTUMKEAP1CYP19A1
SCHEMBL20150082 0.75 TSHR (0.38) ALOX15TSHRALDH1A1MAPTCYP1A2
SCHEMBL20150089 0.75 TSHR (0.38) ALOX15TSHRCYP1A2CYP2C9
SCHEMBL13843679 0.75 NOTUM (0.37) NOTUMUSP1WDR48
SCHEMBL20150094 0.75 ATP4A (0.34) ALOX15TSHRCYP1A2CYP2C9CYP2C19

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 13 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-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11174265-B2 2021-11-16 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 (11 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-11174265-B2 TYK2, JAK2, JAK1 NOTUM 3422/4885ALOX15 3290/4885TSHR 2492/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NOTUM 3641/4885ALOX15 3808/4885TSHR 1652/4885

“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.