SCHEMBL20073529

SCHEMBL20073529

CO[C@H]1CCN(c2ccc(N)nc2C#N)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.42
ACACB O00763 4/20 0.40
FASN P49327 3/20 0.39
USP30 Q70CQ3 1/20 0.39
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
MAP4K4 O95819 2/20 0.37
MCHR1 Q99705 1/20 0.34
KDM1A O60341 2/20 0.34

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
SCHEMBL20091974 0.79 TYK2 (0.39) TYK2ACACBUSP30PIK3CAMTOR
SCHEMBL20073324 0.74 AR (0.39)
SCHEMBL20073531 0.74 AR (0.42)
SCHEMBL29596935 0.73 ACACB (0.41) ACACBPIK3CAMTOR
SCHEMBL19630300 0.73 ACACB (0.41) ACACBPIK3CAMTOR
SCHEMBL19866866 0.73 ACACB (0.41) ACACBPIK3CAMTOR
SCHEMBL29635166 0.73 ACACB (0.41) ACACBPIK3CAMTOR
SCHEMBL20688853 0.71 MAP4K4 (0.48) TYK2ACACBMAP4K4MCHR1
SCHEMBL20689224 0.71 MAP4K4 (0.48) TYK2ACACBMAP4K4MCHR1
SCHEMBL31696811 0.71 MAP4K4 (0.48) TYK2ACACBMAP4K4MCHR1

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 15 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
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP 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
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO 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 (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 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-11174265-B2 TYK2, JAK2, JAK1 TYK2 1/4885ACACB 1137/4885FASN 2947/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885ACACB 2158/4885FASN 3171/4885

“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.