SCHEMBL30064841

SCHEMBL30064841

Nc1cc2ccccc2c(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
PDPK1 O15530 1/20 0.43
BACE1 P56817 4/20 0.42
HPGD P15428 4/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL303815 1.00 KDM4E (0.44) KDM4EL3MBTL1TDP1MAPTMAPK1
SCHEMBL14528163 0.78 BACE1 (0.34) KDM4EL3MBTL1TDP1MAPTMAPK1
SCHEMBL2262027 0.77 BACE1 (0.50) KDM4ETDP1MAPTPDPK1BACE1
SCHEMBL29367545 0.77 BACE1 (0.50) KDM4ETDP1MAPTPDPK1BACE1
SCHEMBL901849 0.77 ALDH1A1 (0.42) KDM4EL3MBTL1TDP1MAPTMAPK1
SCHEMBL29751038 0.77 ALDH1A1 (0.42) KDM4EL3MBTL1TDP1MAPTMAPK1
SCHEMBL30133425 0.77 ALDH1A1 (0.42) KDM4EL3MBTL1TDP1MAPTMAPK1
SCHEMBL1520112 0.77 BACE1 (0.47) KDM4EMAPTPDPK1BACE1HPGD
SCHEMBL30005359 0.77 BACE1 (0.47) KDM4EMAPTPDPK1BACE1HPGD
SCHEMBL31165772 0.74 CYP1A2 (0.45) KDM4EL3MBTL1TDP1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713330-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2026-03-25 EP disclosed
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
WO-2024235286-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED LIMITED (CN) 2024-11-21 WO disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 EP 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-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885L3MBTL1 3825/4885TDP1 3096/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4105/4885L3MBTL1 3825/4885TDP1 3096/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885L3MBTL1 3825/4885TDP1 3096/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS KDM4E 4105/4885L3MBTL1 3825/4885TDP1 3096/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS KDM4E 4105/4885L3MBTL1 3825/4885TDP1 3096/4885

“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.