SCHEMBL20150124

SCHEMBL20150124

COc1c(-c2ccsn2)cccc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
FAAH O00519 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
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 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
SCHEMBL24026621 0.79 TLR8 (0.41) LMNAMGAMGAASIMGAM2
SCHEMBL18415077 0.76 SCN9A (0.36) TSHRCYP1A2ALOX15POLBNPC1
SCHEMBL20150095 0.76 TSHR (0.33) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL20230841 0.75 CASP6 (0.33) GABRA1HPGDGABRB2MGAMGAA
SCHEMBL20150081 0.75 TP53 (0.35) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL20150104 0.75 SMN1; SMN2 (0.45) TSHRLMNACYP1A2CYP3A4HPGD
SCHEMBL20150102 0.74 TYK2 (0.37) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL21090981 0.74 TYK2 (0.39) TSHRGABRA1GABRG2GABRB3FAAH
SCHEMBL18415121 0.74 TYK2 (0.40) TSHRALOX15KDM4ENPC1PKM
SCHEMBL20150106 0.74 TP53 (0.32) TSHRGABRA1GABRG2GABRB3FAAH

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 13 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-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11174265-B2 2021-11-16 US disclosed
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 US disclosed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 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
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 (11 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-11174265-B2 TYK2, JAK2, JAK1 TSHR 2492/4885GABRA1 2625/4885GABRG2 2478/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TSHR 1652/4885GABRA1 2223/4885GABRG2 2291/4885

“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.