SCHEMBL21745177

SCHEMBL21745177

CCOC(=O)/C=C/c1cc2cc(C)nnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ CCNC P24863 4/20 0.37
▸ CDK8 P49336 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ XPO1 O14980 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.35
▸ MLYCD O95822 1/20 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
SCHEMBL29818939 1.00 TTR (0.40) TTRDPP4CA12CA1CA2
SCHEMBL21714067 0.82 ALDH1A1 (0.36) CYP3A4CCNCCDK8RAB9AKDM4E
SCHEMBL28567071 0.82 ALDH1A1 (0.36) CYP3A4CCNCCDK8RAB9AKDM4E
SCHEMBL7135262 0.74 TTR (0.45) TTRDPP4CA12CA1CA2
SCHEMBL7135266 0.74 TTR (0.45) TTRDPP4CA12CA1CA2
SCHEMBL21713920 0.73 — —
SCHEMBL29788898 0.72 TTR (0.46) TTRDPP4CA12CA1CA2
SCHEMBL21686018 0.68 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL28687489 0.68 CA12 (0.50) TTRDPP4CA12CA1CA2
SCHEMBL30492201 0.68 TTR (0.43) TTRDPP4CA12CA1CA2

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
CN-112930347-A Inhibitors of KEAP1-Nrf2 protein-protein interactions 詹森药业有限公司 2021-06-08 — — CN disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 — — US disclosed
WO-2020041169-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 — — WO disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 — — 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-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 TTR 3593/4885DPP4 4374/4885CA12 4850/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 TTR 3593/4885DPP4 4374/4885CA12 4850/4885

“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.

Send feedback