SCHEMBL21258581

SCHEMBL21258581

COC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3ccn(-c4ccccc4)n3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.52
▸ KDM4E B2RXH2 9/20 0.45
▸ ALDH1A1 P00352 8/20 0.45
▸ HSD17B10 Q99714 6/20 0.39
▸ HPGD P15428 5/20 0.39
▸ GAA P10253 4/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MAPT P10636 3/20 0.35

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
SCHEMBL20689065 0.93 TYK2 (0.53) TYK2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL20689061 0.91 ALDH1A1 (0.49) TYK2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL20689058 0.91 TYK2 (0.62) TYK2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL25069959 0.78 TYK2 (0.40) TYK2ALDH1A1HPGDGAAPOLB
SCHEMBL25069960 0.77 TYK2 (0.47) TYK2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL20688967 0.77 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL25069986 0.76 SMN1; SMN2 (0.42) TYK2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL20696957 0.76 ALDH1A1 (0.52) TYK2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL20678811 0.69 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL20678878 0.69 TYK2 (1.00) TYK2KDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 — — US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 — — US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 — — US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 — — 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 (4 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885KDM4E 391/4885ALDH1A1 4827/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885KDM4E 391/4885ALDH1A1 4827/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885KDM4E 391/4885ALDH1A1 4827/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885KDM4E 391/4885ALDH1A1 4827/4885

“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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