SCHEMBL20697230

SCHEMBL20697230

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3c[nH]c4ncccc34)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CASP1 P29466 3/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CDC7 O00311 3/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ TGFBR1 P36897 3/20 0.38
▸ PDPK1 O15530 3/20 0.38
▸ DYRK1A Q13627 3/20 0.37
▸ DAPK3 O43293 2/20 0.37

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
SCHEMBL21961843 0.89 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1NPC1
SCHEMBL20696817 0.88 KDM4E (0.43) KDM4EHPGDHSD17B10ALDH1A1NPC1
SCHEMBL21238637 0.85 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1NPC1
SCHEMBL20688009 0.84 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1NPC1
SCHEMBL21948058 0.83 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1NPC1
SCHEMBL20697359 0.83 CYP1A2 (0.43) KDM4EHPGDHSD17B10ALDH1A1NPC1
SCHEMBL20697227 0.80 TYK2 (0.52) TYK2
SCHEMBL21258609 0.79 TYK2 (0.56) TYK2
SCHEMBL21285337 0.77 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1NPC1
SCHEMBL20688924 0.76 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 — — US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 — — 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 (2 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 KDM4E 391/4885HPGD 4476/4885HSD17B10 2692/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885HPGD 4476/4885HSD17B10 2692/4885

“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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