SCHEMBL20150094

SCHEMBL20150094

COc1c(C(C)C)cccc1-n1ncnn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
NFE2L2 Q16236 1/20 0.32
HCRTR2 O43614 2/20 0.32
FAAH O00519 2/20 0.32
MGLL Q99685 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL20150082 0.83 TSHR (0.38) ATP4AATP4BTSHRALOX15HCRTR2
SCHEMBL14883257 0.80 FAAH (0.44) TSHRALOX15HCRTR2FAAHMGLL
SCHEMBL21376046 0.80 LMNA (0.35) ATP4AATP4BTSHRHCRTR2LMNA
SCHEMBL20150089 0.76 TSHR (0.38) ATP4AATP4BTSHRALOX15FAAH
SCHEMBL20150093 0.75 ALOX15 (0.38) TSHRALOX15CYP1A2CYP3A4HPGD
SCHEMBL20150107 0.75 NOTUM (0.47) TSHRALOX15CYP1A2CYP2C9CYP2C19
SCHEMBL20150084 0.73 NPC1 (0.44) TSHRALOX15HCRTR2LMNAHPGD
SCHEMBL5548772 0.72 GABRA1 (0.50) TSHRALOX15FAAHCA1CA2
SCHEMBL12806495 0.70 GAA (0.39) TSHR
SCHEMBL20150092 0.69 ALOX15 (0.50) TSHRALOX15LMNACYP1A2CYP3A4

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 8 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-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 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

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

For each of this compound's patents that has machine-readable text (7 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-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ATP4A 4623/4885ATP4B 4628/4885TSHR 1652/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ATP4A 4623/4885ATP4B 4628/4885TSHR 1652/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ATP4A 4623/4885ATP4B 4628/4885TSHR 1652/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ATP4A 4623/4885ATP4B 4628/4885TSHR 1652/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ATP4A 4623/4885ATP4B 4628/4885TSHR 1652/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ATP4A 4623/4885ATP4B 4628/4885TSHR 1652/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ATP4A 4623/4885ATP4B 4628/4885TSHR 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.