SCHEMBL20150095

SCHEMBL20150095

COc1c(-c2ncsn2)cccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 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
HTR2C P28335 1/20 0.31
GABRB3 P28472 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
SCHEMBL24026538 0.81 CTSA (0.36) TSHRTP53CYP1A2CYP3A4LMNA
SCHEMBL20150120 0.80 TSHR (0.39) TSHRALOX15TP53POLBCYP1A2
SCHEMBL20150109 0.77 TSHR (0.38) TSHRALOX15USP1WDR48TP53
SCHEMBL20155997 0.77 DRD2 (0.32) POLBGABRA1HPGDGABRB2L3MBTL1
SCHEMBL20150124 0.76 TSHR (0.32) TSHRALOX15TP53POLBCYP1A2
SCHEMBL21784454 0.75 TYK2 (0.37) TSHRALOX15USP1WDR48CYP2C19
SCHEMBL20150087 0.75 TP53 (0.37) TSHRALOX15USP1WDR48TP53
SCHEMBL20150105 0.74 TP53 (0.39) TSHRALOX15TP53POLBCYP1A2
SCHEMBL20150101 0.73 TP53 (0.39) TSHRALOX15USP1WDR48TP53
SCHEMBL20150125 0.73 TSHR (0.35) TSHRALOX15TP53POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 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 (5 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885USP1 2876/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885USP1 2876/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885USP1 2876/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885USP1 2876/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885ALOX15 3808/4885USP1 2876/4885

“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.