SCHEMBL20120121

SCHEMBL20120121

O=C(O)c1c[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNA2 P51530 1/20 0.56
CASP6 P55212 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
CDK2 P24941 4/20 0.52
TSHR P16473 1/20 0.51
BACE1 P56817 2/20 0.48
RAD52 P43351 1/20 0.46
CLK1 P49759 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
APEX1 P27695 1/20 0.42
GPR35 Q9HC97 1/20 0.42
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL2883174 0.88 CLK1 (0.47) DNA2CASP6CTDSP1CDK2TSHR
SCHEMBL24735662 0.86 PBRM1 (0.53) DNA2CASP6CTDSP1CDK2TSHR
SCHEMBL23551500 0.85 CLK1 (0.47) DNA2CASP6CTDSP1CDK2TSHR
SCHEMBL23538255 0.84 CLK1 (0.46) DNA2CASP6CTDSP1CDK2BACE1
SCHEMBL23551492 0.82 BACE1 (0.45) DNA2CASP6CTDSP1CDK2TSHR
SCHEMBL2843773 0.82 NR4A2 (0.62) CDK2TSHRBACE1RAD52CLK1
SCHEMBL2077060 0.80 CNR2 (0.46) DNA2CASP6CTDSP1CDK2TSHR
SCHEMBL259817 0.80 BACE1 (0.46) DNA2CASP6CTDSP1CDK2TSHR
SCHEMBL2884596 0.78 ALDH1A1 (0.62) CASP6CDK2TSHRBACE1RAD52
SCHEMBL1821905 0.77 NPC1 (0.46) BACE1RAD52CLK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479842-B2 Pyrido[3,2-d]pyrimidine compounds uses thereof for treating a proliferative disease UNIVERSITE DE MONTREAL (CA) 2025-11-25 US disclosed
US-20250270207-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE UNIVERSITE DE MONTREAL (CA) 2025-08-28 US disclosed
US-12139488-B2 Pyrido[3,2-d]pyrimidine compounds uses thereof for treating a proliferative disease Université de Montréal (CA) 2024-11-12 US disclosed
US-20240317747-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-09-26 US disclosed
US-12060353-B2 Pyrido[3,2-d]pyrimidine compounds uses thereof for treating a proliferative disease Université de Montréal (CA) 2024-08-13 US disclosed
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
US-20240140945-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-05-02 US disclosed
EP-4326719-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-02-28 EP disclosed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
WO-2022221939-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE UNIVERSITE DE MONTREAL (CA) 2022-10-27 WO disclosed
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-11078467-B2 Highly active self-sufficient nitration biocatalysts UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-08-03 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 US disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 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 (10 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-20250270207-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, KRAS DNA2 617/4885CASP6 3351/4885CTDSP1 672/4885
US-20240140945-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, KRAS DNA2 617/4885CASP6 3351/4885CTDSP1 672/4885
US-20240317747-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, KRAS DNA2 617/4885CASP6 3351/4885CTDSP1 672/4885
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 DNA2 2008/4885CASP6 2612/4885CTDSP1 3200/4885
US-11078467-B2 Highly active self-sufficient nitration biocatalysts POR, CYP4F3, CBR3 DNA2 2089/4885CASP6 4212/4885CTDSP1 2548/4885
US-12139488-B2 Pyrido[3,2-d]pyrimidine compounds uses thereof for treating a proliferative disease BRAF, NRAS, KRAS DNA2 617/4885CASP6 3351/4885CTDSP1 672/4885
US-12060353-B2 Pyrido[3,2-d]pyrimidine compounds uses thereof for treating a proliferative disease BRAF, NRAS, KRAS DNA2 617/4885CASP6 3351/4885CTDSP1 672/4885
US-12479842-B2 Pyrido[3,2-d]pyrimidine compounds uses thereof for treating a proliferative disease BRAF, NRAS, DPYD DNA2 635/4885CASP6 3301/4885CTDSP1 675/4885
US-20190292527-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS POR, CYP4F3, CBR3 DNA2 2089/4885CASP6 4212/4885CTDSP1 2548/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD DNA2 635/4885CASP6 3301/4885CTDSP1 675/4885

“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.