SCHEMBL20150100

SCHEMBL20150100

COc1c(-c2nncs2)cccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 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
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 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
SCHEMBL24287912 0.80 GAA (0.40) MGAMGAASIMGAM2KDM4E
SCHEMBL24026622 0.79 GAA (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL18415036 0.77 TYK2 (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL18415086 0.77 ALDH1A1 (0.43) GAAKDM4EALDH1A1TDP1HPGD
SCHEMBL20150105 0.74 TP53 (0.39) MGAMGAASIMGAM2KDM4E
SCHEMBL20150108 0.73 AAK1 (0.37) ALDH1A1HPGDHSD17B10TSHRFAAH
SCHEMBL21784452 0.72 MGAM (0.37) MGAMGAASIMGAM2GABRA1
SCHEMBL20150102 0.72 TYK2 (0.37) ALDH1A1HPGDTSHRFAAHCA1
SCHEMBL31301212 0.71 ALDH1A1 (0.54) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5548772 0.71 GABRA1 (0.50) KDM4EALDH1A1HPGDTSHRFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (10 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 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-11174265-B2 TYK2, JAK2, JAK1 MGAM 4268/4885GAA 2099/4885SI 4769/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 MGAM 3367/4885GAA 1899/4885SI 4536/4885

“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.