SCHEMBL1992586

SCHEMBL1992586

O=C(O)c1[nH]c(=O)[nH]c(=O)c1Br

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.57
THRB P10828 1/20 0.57
TYMP P19971 11/20 0.46
PNP P00491 1/20 0.46
GPR35 Q9HC97 1/20 0.40
IDH1 O75874 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DHODH Q02127 2/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22783664 0.77 JAK2 (0.61) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL24761226 0.75 CYP1A2 (0.42) JAK2THRBTYMPPNPDHODH
SCHEMBL10962665 0.74 JAK2 (0.59) JAK2THRBTYMPDHODHLMNA
SCHEMBL25391975 0.74 JAK2 (0.59) JAK2THRBDHODHLMNAALDH1A1
SCHEMBL11130450 0.73 JAK2 (0.57) JAK2THRBTYMPDHODHLMNA
SCHEMBL122310 0.73 JAK2 (0.57) JAK2THRBTYMPDHODH
SCHEMBL9715507 0.73 JAK2 (1.00) JAK2THRBTYMPDHODHLMNA
SCHEMBL44527 0.73 JAK2 (1.00) JAK2THRBTYMPDHODHLMNA
SCHEMBL2894307 0.73 JAK2 (0.57) JAK2THRBTYMPGPR35DHODH
SCHEMBL190140 0.73 JAK2 (0.57) JAK2THRBTYMPPNPDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445239-A4 ANTI-MALARIAL COMPOSITION AND METHOD OF USE 1992-03-25 EP claimed
EP-0445239-A1 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-09-11 EP claimed
WO-1991000081-A2 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-01-10 WO claimed
WO-2022194191-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF KRAS G12D GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-22 WO disclosed
CN-114470108-A Compound isatis root buccal tablet and processing method thereof 徐昊 2022-05-13 CN disclosed
US-8334292-B1 Pyrimidine compounds and methods of making and using same CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
US-20110150961-A1 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2011-06-23 US disclosed
EP-2254640-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2010-12-01 EP disclosed
WO-2009105484-A2 ANTI-INFECTIVE CATHETERS ANGIOTECH PHARMACEUTICALS, INC. (CA) 2009-08-27 WO disclosed
US-20050153357-A1 Bioactive sensors EICHLER JUTTA (DE) 2005-07-14 US disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
US-20020127577-A1 Bioactive sensors GRAFFINITY PHARMACEUTICALS AG (DE) 2002-09-12 US disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6159953-A Anti-malarial composition and method of use CATHOLIC UNIVERSITY OF AMERICA (US) 2000-12-12 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0445239-A4 ANTI-MALARIAL COMPOSITION AND METHOD OF USE 1992-03-25 EP disclosed
EP-0445239-A1 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-09-11 EP disclosed
WO-1991000081-A2 ANTI-MALARIAL COMPOSITION AND METHOD OF USE THE CATHOLIC UNIVERSITY OF AMERICA (US) 1991-01-10 WO disclosed
US-4045556-A ANTIDEPRESSANTS, PYSCHOSTIMULANTS; SILYLATION SCHWERTNER EBERHARD 1977-08-30 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-20110150961-A1 ANTI-INFECTIVE CATHETERS NACA, PUF60, POLR1C JAK2 2147/4885THRB 4075/4885TYMP 5/4885

“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.