SCHEMBL588926

SCHEMBL588926

O=[N+]([O-])c1ccc(CBr)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
POLB P06746 1/20 0.48
PDE7A Q13946 1/20 0.47
MAPK1 P28482 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
PKM P14618 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
AR P10275 3/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL29618194 1.00 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL695876 0.90 ALDH1A1 (0.46) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL27778093 0.87 ALDH1A1 (0.47) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL14021283 0.85 ALDH1A1 (0.50) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL2015323 0.85 ALDH1A1 (0.57) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL19205982 0.83 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL28664477 0.83 ALDH1A1 (0.49) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL28012388 0.83 ALDH1A1 (0.46) ALDH1A1POLBPDE7AMAPK1MEN1
SCHEMBL15068693 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL27651645 0.81 ALDH1A1 (0.47) ALDH1A1POLBPDE7AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103044432-B Bicyclic heteroaryl compounds 阿里亚德医药股份有限公司 2016-08-03 CN claimed
US-20130231337-A1 Bicyclic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-09-05 US claimed
US-20130178622-A1 Methods and Compositions for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2013-07-11 US claimed
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2025-11-27 US disclosed
US-20250177382-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2025-06-05 US disclosed
WO-2025067411-A1 NEK7 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-04-03 WO disclosed
US-20250064837-A1 TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES SHANGHAITECH UNIVERSITY (CN) 2025-02-27 US disclosed
EP-3617213-B1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARMACEUTICAL CO LTD (KR) 2025-02-19 EP disclosed
US-12226424-B2 Target protein degradation compounds, their anti-tumor use, their intermediates and use of intermediates SHANGHAITECH UNIVERSITY (CN) 2025-02-18 US disclosed
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 US disclosed
EP-3584239-B1 O-AMINOHETEROARYL ALKYNYL-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2024-09-11 EP disclosed
EP-1973545-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2008-10-01 EP disclosed
WO-2007133562-A2 MONOCYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 WO disclosed
WO-2007133560-A2 ACETYLENIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-11-22 WO disclosed
EP-1840122-A1 AMINOPYRIMIDINE COMPOUNDS AND THEIR SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL USE THEREOF Sun, Piaoyang (CN) 2007-10-03 EP disclosed
US-20070191376-A1 Bicyclic heteroaryl compounds TAKEDA PHARMACEUTICALS U.S.A., INC. 2007-08-16 US disclosed
WO-2007075869-A2 BICYCLIC HETEROARYL COMPOUNDS ARIAD PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed
US-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 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 (9 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 ALDH1A1 1938/4885POLB 2576/4885PDE7A 617/4885
US-20070191376-A1 Bicyclic heteroaryl compounds CYP3A43, CYP11B2, CYP2F1 ALDH1A1 636/4885POLB 1974/4885PDE7A 4323/4885
US-20250064837-A1 TARGET PROTEIN DEGRADATION COMPOUNDS, THEIR ANTI-TUMOR USE, THEIR INTERMEDIATES AND USE OF INTERMEDIATES UFM1, SUMO1, SUMO2 ALDH1A1 3063/4885POLB 1777/4885PDE7A 4450/4885
US-12226424-B2 Target protein degradation compounds, their anti-tumor use, their intermediates and use of intermediates UFM1, SUMO1, SUMO2 ALDH1A1 3078/4885POLB 1704/4885PDE7A 4511/4885
US-20250177382-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 ALDH1A1 3958/4885POLB 4015/4885PDE7A 260/4885
US-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 ALDH1A1 4225/4885POLB 4139/4885PDE7A 301/4885
US-20130178622-A1 Methods and Compositions for Treating Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MKI67 ALDH1A1 416/4885POLB 334/4885PDE7A 2596/4885
US-20130231337-A1 Bicyclic Heteroaryl Compounds CYP3A43, CYP11B2, CYP2F1 ALDH1A1 636/4885POLB 1974/4885PDE7A 4323/4885
US-20250361232-A1 SUBSTITUTED ACETYLENIC PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 ALDH1A1 980/4885POLB 2407/4885PDE7A 588/4885

“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.