SCHEMBL21713631

SCHEMBL21713631

Cc1c(I)ccnc1NN

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
OPRM1 P35372 1/20 0.31
KCNH2 Q12809 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NOS1 P29475 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6385162 0.78 NOS2 (0.52) NOS3NOS2MAPTALDH1A1ADORA3
SCHEMBL31330494 0.76 LRRK2 (0.46) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL741028 0.75 GOT1 (0.33) MAPTALDH1A1ADORA3MAOAPTGS1
SCHEMBL31103860 0.75 LOXL2 (0.31) MAPTALDH1A1ADORA3MAOAPTGS1
SCHEMBL21713526 0.75 NOS3 (0.34) NOS3NOS2MAPTALDH1A1ADORA3
SCHEMBL1223757 0.75 NOS2 (0.39) NOS3NOS2MAPTALDH1A1ADORA3
SCHEMBL27375177 0.75 CCNE1 (0.35) NOS3NOS2MAPTALDH1A1ADORA3
SCHEMBL25385708 0.75 MAOA (0.33) NOS3NOS2MAOANOS1
SCHEMBL1223336 0.74
SCHEMBL31026295 0.74

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
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 NOS3 444/4885NOS2 385/4885MAPT 763/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 NOS3 444/4885NOS2 385/4885MAPT 763/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 NOS3 444/4885NOS2 385/4885MAPT 763/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 NOS3 444/4885NOS2 385/4885MAPT 763/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 NOS3 444/4885NOS2 385/4885MAPT 763/4885

“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.