SCHEMBL16636595

SCHEMBL16636595

O=[N+]([O-])c1cc(Br)cc(F)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HIF1A Q16665 1/20 0.38
S100A4 P26447 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAPT P10636 4/20 0.36
PKM P14618 1/20 0.36
FBP1 P09467 1/20 0.36
VCAM1 P19320 1/20 0.36
MAPK1 P28482 3/20 0.36
AKR1B1 P15121 1/20 0.35
SNCA P37840 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR35 Q9HC97 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 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
SCHEMBL28375373 0.84 ERN1 (0.42) ERN1ATMTDP1ALDH1A1HIF1A
SCHEMBL28375375 0.83 ERN1 (0.38) ERN1ATMTDP1ALDH1A1HIF1A
SCHEMBL14249510 0.83 TAAR1 (0.39) ERN1ATMTDP1ALDH1A1HIF1A
SCHEMBL28385749 0.81 FBP1 (0.45) ERN1ATMTDP1ALDH1A1HIF1A
SCHEMBL31504517 0.80 ERN1 (0.41) ERN1ALDH1A1S100A4TRPV1MAPT
SCHEMBL14249857 0.79 KAT2B (0.37) ERN1ATMTDP1ALDH1A1HIF1A
SCHEMBL22771110 0.79 ERN1 (0.40) ERN1ALDH1A1S100A4TRPV1MAPT
SCHEMBL28328839 0.79 ERN1 (0.40) ERN1ALDH1A1S100A4TRPV1MAPT
SCHEMBL31422795 0.79 ERN1 (0.40) ERN1ALDH1A1S100A4TRPV1MAPT
SCHEMBL16636941 0.78 ALDH1A1 (0.38) ERN1TDP1ALDH1A1HIF1AS100A4

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410187-B2 Fused tricyclic compounds useful as anticancer agents ASTRAZENECA AB (SE) 2025-09-09 US disclosed
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
CN-113508118-B Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2024-07-19 CN disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed
EP-3935060-B1 FUSED TRICYCLIC COMPOUNDS USEFUL AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2023-11-15 EP disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
CN-106488910-A Inhibitors of kras g12c 亚瑞克西斯制药公司 2017-03-08 CN disclosed
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO 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 (7 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-12410187-B2 Fused tricyclic compounds useful as anticancer agents MCL1, TP53, CCNA2 ERN1 2189/4885ATM 1865/4885TDP1 1442/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ERN1 2526/4885ATM 2658/4885TDP1 3784/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ERN1 1177/4885ATM 983/4885TDP1 2228/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 1177/4885ATM 983/4885TDP1 2228/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 973/4885ATM 1258/4885TDP1 2242/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 973/4885ATM 1258/4885TDP1 2242/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 973/4885ATM 1258/4885TDP1 2242/4885

“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.