SCHEMBL21948921

SCHEMBL21948921

CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4nc(OC)ccc34)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 7/20 0.48
▸ KDM4E B2RXH2 7/20 0.44
▸ HSD17B10 Q99714 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ HPGD P15428 5/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CASP1 P29466 3/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38

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
SCHEMBL21948922 0.93 TYK2 (0.52) TYK2KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL20696964 0.89 TYK2 (0.53) TYK2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21948052 0.88 TYK2 (0.47) TYK2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21285360 0.87 KDM4E (0.47) TYK2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21961793 0.86 KDM4E (0.42) TYK2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL20689332 0.86 TYK2 (0.46) TYK2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL20697307 0.86 TYK2 (0.48) TYK2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL21948920 0.84 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HPGDNPC1
SCHEMBL21948924 0.84 TYK2 (0.72) TYK2
SCHEMBL21258520 0.83 TYK2 (0.56) TYK2KDM4EALDH1A1

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — 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 (1 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885KDM4E 391/4885HSD17B10 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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