SCHEMBL20150089

SCHEMBL20150089

COc1c(C(C)C)cccc1-n1cnnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
FAAH O00519 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL20150092 0.81 ALOX15 (0.50) TSHRALOX15CYP1A2CYP2C9LMNA
SCHEMBL21863515 0.77 GABRA1 (0.38) TSHRALOX15CYP1A2FAAHGABRA1
SCHEMBL20150082 0.77 TSHR (0.38) TSHRALOX15CYP1A2FAAHGABRA1
SCHEMBL20150094 0.76 ATP4A (0.34) TSHRALOX15CYP1A2CYP2C9FAAH
SCHEMBL5548772 0.75 GABRA1 (0.50) TSHRALOX15CYP1A2CYP2C9FAAH
SCHEMBL20150093 0.75 ALOX15 (0.38) TSHRALOX15CYP1A2CYP2C9CYP3A4
SCHEMBL20150107 0.75 NOTUM (0.47) TSHRALOX15CYP1A2CYP2C9
SCHEMBL12806495 0.73 GAA (0.39) TSHR
SCHEMBL20150084 0.73 NPC1 (0.44) TSHRALOX15LMNAHPGD
SCHEMBL13452246 0.72 CYP1A2 (0.33) CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885CYP1A2 3935/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885CYP1A2 3935/4885

“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.