SCHEMBL17670281

SCHEMBL17670281

COc1cc(N(C)C)c([N+](=O)[O-])cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 7/20 0.43
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.42
HCAR3 P49019 1/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
G6PD P11413 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL29532235 0.83 ALDH1A1 (0.48) HTTTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17261924 0.83 ALDH1A1 (0.48) HTTTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10020888 0.83 HTT (0.59) HTTTDP1ALDH1A1MAPTKDM4E
SCHEMBL8009996 0.81 HTT (0.58) HTTTDP1ALDH1A1MAPTKDM4E
SCHEMBL6376231 0.81 HTT (0.58) HTTTDP1ALDH1A1MAPTKDM4E
SCHEMBL6815368 0.81 ALDH1A1 (0.49) HTTTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21816633 0.80 HTT (0.40) HTTTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22510151 0.80 ALDH1A1 (0.45) HTTTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL18202361 0.80 HTT (0.40) HTTTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9073829 0.80 HTT (0.56) HTTTDP1ALDH1A1MAPTKDM4E

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
EP-4725554-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2026-04-15 EP disclosed
US-RE50528-E1 Compounds and compositions for modulating EGFR mutant kinase activities YUHAN CORPORATION (KR) 2025-08-12 US disclosed
EP-3929190-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORP (KR) 2024-12-25 EP disclosed
EP-4421069-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2024-08-28 EP disclosed
CN-111686110-B Compounds and compositions for modulating EGFR mutant kinase activity 株式会社柳韩洋行 2023-06-16 CN disclosed
CN-114181217-B Pyrazolo [1,5-a ] [1,3,5] triazine derivative and salt thereof and application of derivative and salt thereof in preparation of anti-cancer drugs 陕西师范大学 2022-12-27 CN disclosed
CN-113861216-B Compound containing pyrimidine heterocyclic structure and preparation method and application thereof 潍坊医学院 2022-12-09 CN disclosed
CN-114181217-A Pyrazolo [1,5-a ] [1,3,5] triazine derivative and salt thereof and application of derivative and salt thereof in preparation of anti-cancer drugs 陕西师范大学 2022-03-15 CN disclosed
EP-3929190-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2021-12-29 EP disclosed
EP-3604294-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2020-02-05 EP disclosed
EP-3207035-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORP (KR) 2019-11-20 EP disclosed
EP-3207035-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2017-08-23 EP disclosed
US-9593098-B2 Compounds and compositions for modulating EGFR mutant kinase activities YUHAN CORPORATION (KR) 2017-03-14 US disclosed
WO-2016060443-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORPORATION (KR) 2016-04-21 WO disclosed
US-20160102076-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORPORATION 2016-04-14 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 (1 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-20160102076-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES EGFR, ERBB2, ERBB3 HTT 3270/4885TDP1 924/4885ALDH1A1 4067/4885

“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.