SCHEMBL28569036

SCHEMBL28569036

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ESR1 P03372 1/20 0.37
MLYCD O95822 1/20 0.37
DPP4 P27487 2/20 0.36
TTR P02766 1/20 0.36
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL30643493 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL21713790 0.84 CYP1A2 (0.45) CYP1A2POLBCYP2C9KMT2ACA1
SCHEMBL21713561 0.84 CYP1A2 (0.45) CYP1A2POLBCYP2C9KMT2ACA1
SCHEMBL21745150 0.82 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL28574499 0.82 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL28563159 0.79 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL28587311 0.77 TTR (0.47) CA12CA1CA2CA7CA9
SCHEMBL21713326 0.76 CYP1A2 (0.45) CYP1A2POLBCYP2C9KMT2A
SCHEMBL21762373 0.74 KMT2A (0.42) CYP1A2POLBCYP2C9KMT2ADPP4
SCHEMBL21713904 0.73 CYP1A2 (0.42) CYP1A2POLBCYP2C9KMT2A

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 5 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
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

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-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 CYP1A2 2529/4885POLB 2535/4885CYP2C9 2770/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 CYP1A2 2529/4885POLB 2535/4885CYP2C9 2770/4885

“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.