SCHEMBL20150110

SCHEMBL20150110

COc1c(-c2cnncn2)cccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.34
FEN1 P39748 7/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CD274 Q9NZQ7 5/20 0.32
PDCD1 Q15116 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 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
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 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
SCHEMBL20150103 0.79 CCNT1 (0.40) TSHRALOX15CYP3A4CYP2C9
SCHEMBL24497525 0.79 ALOX5AP (0.40) ALOX5APFEN1CD274PDCD1CYP3A4
SCHEMBL20150112 0.79 TYK2 (0.39) ALOX5APFEN1TSHRALOX15HPGD
SCHEMBL20150111 0.78 TSHR (0.32) TSHRALOX15CYP1A2CYP3A4FAAH
SCHEMBL20150104 0.76 SMN1; SMN2 (0.45) TSHRALOX15CYP1A2CYP3A4LMNA
SCHEMBL20150102 0.75 TYK2 (0.37) ALOX5APFEN1TSHRALOX15CD274
SCHEMBL20150109 0.74 TSHR (0.38) TSHRALOX15ATP4AATP4BCYP1A2
SCHEMBL20150105 0.74 TP53 (0.39) TSHRALOX15CYP1A2CYP3A4FAAH
SCHEMBL20150115 0.74 CYP17A1 (0.35) TSHRALOX15CYP1A2CYP3A4FAAH
SCHEMBL20150090 0.73 METAP2 (0.55)

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 3 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-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 (3 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 ALOX5AP 3531/4885FEN1 2653/4885TSHR 1652/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX5AP 3531/4885FEN1 2653/4885TSHR 1652/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX5AP 3531/4885FEN1 2653/4885TSHR 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.