SCHEMBL21745150

SCHEMBL21745150

CCOC(=O)/C=C/c1ccn2c(CC)nnc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 2/20 0.37
ESR1 P03372 1/20 0.37
MAOB P27338 1/20 0.36
PTGS2 P35354 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL30643493 0.88 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL21713998 0.86 SMN1; SMN2 (0.35) CA1CA2NPC1RAB9AESR1
SCHEMBL28574499 0.82 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL28569036 0.82 CYP1A2 (0.41) CA12CA1CA2CA7CA9
SCHEMBL28563159 0.81 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL10783189 0.67 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL28123328 0.67 TTR (0.59) CA12CA1CA2CA7CA9
SCHEMBL21713512 0.67 GRM2 (0.38) NPC1RAB9AMAPT
SCHEMBL16852770 0.67 CCNC (0.45) CA12CA1CA2CA7CA9
SCHEMBL29406070 0.67 CCNC (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4364804-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica NV (BE) 2024-05-08 EP disclosed
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
US-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2022-08-30 US disclosed
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 (5 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-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CA12 4850/4885CA1 4705/4885CA2 4517/4885

“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.