SCHEMBL21713670

SCHEMBL21713670

Cc1c(C=O)ccc2c1nnn2C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.43
KCNJ1 P48048 1/20 0.39
ALDH1A1 P00352 7/20 0.37
LMNA P02545 5/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL21713301 0.85 HCAR3 (0.40) HCAR3ALDH1A1LMNATSHRTP53
SCHEMBL21714150 0.81 HCAR3 (0.46) HCAR3ALDH1A1LMNATSHRTP53
SCHEMBL21713903 0.77 HCAR3 (0.39) HCAR3ALDH1A1LMNATSHRTP53
SCHEMBL16852927 0.76 KCNJ1 (0.43) HCAR3KCNJ1ALDH1A1LMNATSHR
SCHEMBL21713779 0.76 GRM2 (0.50) KCNJ1ALDH1A1LMNAMAPT
SCHEMBL20269082 0.73 GRM2 (0.46) HCAR3KCNJ1POLBMAPT
SCHEMBL21713611 0.71 HCAR3 (0.33) HCAR3ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL12386180 0.68 HCAR3 (0.46) HCAR3ALDH1A1LMNATSHRTP53
SCHEMBL6044245 0.64 HCAR3 (0.51) HCAR3ALDH1A1LMNATSHRTP53
SCHEMBL6044720 0.64 HCAR3 (0.51) HCAR3ALDH1A1LMNATSHRGAA

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 9 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
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
EP-3833662-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica N.V. (BE) 2021-06-16 EP 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 HCAR3 3565/4885KCNJ1 4683/4885ALDH1A1 1271/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 HCAR3 3565/4885KCNJ1 4683/4885ALDH1A1 1271/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 HCAR3 3565/4885KCNJ1 4683/4885ALDH1A1 1271/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 HCAR3 3565/4885KCNJ1 4683/4885ALDH1A1 1271/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 HCAR3 3565/4885KCNJ1 4683/4885ALDH1A1 1271/4885

“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.