SCHEMBL521093

SCHEMBL521093

O=C(O)Cn1ccc([N+](=O)[O-])n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.62
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.56
GAA P10253 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RECQL P46063 1/20 0.53
CYP2D6 P10635 1/20 0.53
F2 P00734 2/20 0.50
PLAU P00749 2/20 0.50
KLKB1 P03952 2/20 0.50
ELANE P08246 2/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.48
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL12633753 0.85 KMT2A (0.64) PKMKMT2ALMNAGAACYP1A2
SCHEMBL1860255 0.85 PKM (0.61) PKMKMT2ALMNAGAACYP1A2
SCHEMBL10732353 0.83 POLB (0.59) PKMKMT2ALMNAGAACYP1A2
SCHEMBL28856266 0.83 KMT2A (0.62) PKMKMT2ALMNAGAACYP1A2
SCHEMBL26649089 0.81 KMT2A (0.60) PKMKMT2ALMNAGAACYP1A2
SCHEMBL21826933 0.81 KMT2A (0.67) PKMKMT2ALMNAGAACYP1A2
SCHEMBL31052720 0.81 PKM (0.60) PKMKMT2ALMNAGAACYP1A2
SCHEMBL2661411 0.81 PKM (0.52) PKMKMT2ALMNAGAACYP1A2
SCHEMBL1107514 0.80 PKM (0.55) PKMKMT2ALMNAGAACYP1A2
SCHEMBL31738248 0.79 PKM (0.97) PKMKMT2ALMNAGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2026-02-05 US disclosed
WO-2025242880-A1 THERAPEUTIC COMPOUNDS AND THEIR USE MY-T BIO LIMITED (GB) 2025-11-27 WO disclosed
US-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-10-09 US disclosed
EP-4522583-A2 PI3K ALPHA INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-03-19 EP disclosed
CN-119486992-A PI3K alpha inhibitors and methods of use thereof 传达治疗有限公司 2025-02-18 CN disclosed
WO-2024184520-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 WO disclosed
EP-4347568-A1 HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS Protego Biopharma, Inc. (US) 2024-04-10 EP disclosed
US-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS THE SCRIPPS RESEARCH INSTITUTE 2024-03-21 US disclosed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
WO-2022251533-A1 HETEROARYL DIAMIDE IRE1/XBP1S ACTIVATORS PROTEGO BIOPHARMA, INC. (US) 2022-12-01 WO disclosed
WO-2021158638-A1 ARYLAZO-HETEROARYL COMPOUNDS AND THEIR USE FOR LONG-TERM THERMAL ENERGY STORAGE BRANDEIS UNIVERSITY (US) 2021-08-12 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (4 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-20250313524-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD PKM 1916/4885KMT2A 2974/4885LMNA 2874/4885
US-20240092757-A1 HETEROARYL DIAMIDE IRE1/XBP1s ACTIVATORS XBP1, HSPA5, DNAJC10 PKM 3288/4885KMT2A 4215/4885LMNA 1839/4885
US-20260035335-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CD, PIK3CG, PIK3CB PKM 2081/4885KMT2A 3086/4885LMNA 4174/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PKM 2336/4885KMT2A 114/4885LMNA 3783/4885

“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.