SCHEMBL20150109

SCHEMBL20150109

COc1c(-c2ncncn2)cccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL20150120 0.87 TSHR (0.39) TSHRALOX15CYP1A2CYP3A4FAAH
SCHEMBL21784454 0.81 TYK2 (0.37) TSHRALOX15CYP2C19USP1WDR48
SCHEMBL20150105 0.81 TP53 (0.39) TSHRALOX15CYP1A2CYP3A4FAAH
SCHEMBL20150103 0.80 CCNT1 (0.40) TSHRALOX15PIK3CDABL1EGFR
SCHEMBL20150125 0.80 TSHR (0.35) TSHRALOX15CYP1A2CYP3A4FAAH
SCHEMBL28915514 0.79 USP1 (0.40) CA1CA2GABRA1GABRB2USP1
SCHEMBL20150087 0.78 TP53 (0.37) TSHRALOX15MTORCYP1A2CYP3A4
SCHEMBL20150115 0.77 CYP17A1 (0.35) TSHRALOX15EGFRKDRCYP1A2
SCHEMBL20150101 0.77 TP53 (0.39) TSHRALOX15CYP1A2CYP3A4FAAH
SCHEMBL20150095 0.77 TSHR (0.33) TSHRALOX15CYP1A2CYP3A4FAAH

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 TSHR 1652/4885ALOX15 3808/4885PIK3CD 961/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885PIK3CD 961/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885PIK3CD 961/4885

“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.