SCHEMBL21206288

SCHEMBL21206288

CC1=C(NC(=O)OC(C)(C)C)C=CN(N)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
RAB9A P51151 1/20 0.35
MIF P14174 1/20 0.34
DRD2 P14416 1/20 0.33
LIPE Q05469 1/20 0.33
GAA P10253 2/20 0.33
CA1 P00915 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
NAMPT P43490 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
BRD9 Q9H8M2 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28180374 0.83 ALDH1A1 (0.36) NFKB1NFKB2RELARAB9AMIF
SCHEMBL19490023 0.71 NFKB1 (0.37) NFKB1NFKB2RELAGAACA1
SCHEMBL6822199 0.66 NFKB1 (0.38) NFKB1NFKB2RELARAB9AGAA
SCHEMBL31363878 0.64 DRD2 (0.36) NFKB1NFKB2RELADRD2LIPE
SCHEMBL1438907 0.64 LMNA (0.37) NFKB1NFKB2RELARAB9AGAA
SCHEMBL31258505 0.63 NFKB1 (0.35) NFKB1NFKB2RELACA1CA2
SCHEMBL1656241 0.61 NFKB1 (0.41) NFKB1NFKB2RELADRD2GAA
SCHEMBL13055402 0.61 CYP17A1 (0.59) DRD2LIPEGAACA1ALDH1A1
SCHEMBL15264820 0.61 ATR (0.48) NFKB1NFKB2RELARAB9AGAA
SCHEMBL3410364 0.61 HPGD (0.49) ALDH1A1POLBBRD9

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
CN-108884050-B Tetrahydroisoquinoline derivatives UCB生物制药私人有限公司 2022-07-05 CN disclosed
US-10370355-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2019-08-06 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 (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-10370355-B2 Tetrahydroisoquinoline derivatives GPR52, GRK3, GPR3 NFKB1 2090/4885NFKB2 1392/4885RELA 834/4885

“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.