SCHEMBL20073715

SCHEMBL20073715

COc1c(N)cccc1-c1ncc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.44
▸ MGAM O43451 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL17194921 0.84 CTSA (0.44) GAAMGAMSIMGAM2HDAC3
SCHEMBL1207018 0.82 ALDH1A1 (0.47) GAAHDAC3HDAC4HDAC1KDM4E
SCHEMBL21784452 0.79 MGAM (0.37) GAAMGAMSIMGAM2GABRA1
SCHEMBL18415047 0.79 KMT2A (0.38) GAAMGAMSIMGAM2HDAC3
SCHEMBL18415046 0.79 MGAM (0.37) GAAMGAMSIMGAM2HDAC3
SCHEMBL23779216 0.77 CDC7 (0.54) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL15690327 0.77 GAA (0.56) GAAMGAMSIMGAM2KDM4E
SCHEMBL31607690 0.74 ALDH1A1 (0.46) GAAMGAMSIMGAM2KDM4E
SCHEMBL2203933 0.74 ALDH1A1 (0.46) GAAMGAMSIMGAM2KDM4E
SCHEMBL20092688 0.74 MGAM (0.42) GAAMGAMSIMGAM2HDAC3

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 8 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
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 — — EP 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
WO-2018071794-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-19 — — WO 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GAA 1899/4885MGAM 3367/4885SI 4536/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 GAA 1899/4885MGAM 3367/4885SI 4536/4885
US-11174265-B2 — TYK2, JAK2, JAK1 GAA 2099/4885MGAM 4268/4885SI 4769/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885MGAM 3367/4885SI 4536/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885MGAM 3367/4885SI 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.

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