SCHEMBL563497

SCHEMBL563497

N=C(N)c1ccc2[nH]cnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.50
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TPSAB1 Q15661 3/20 0.44
F10 P00742 3/20 0.44
PRSS1 P07477 2/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
F7 P08709 2/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
PRKCI P41743 1/20 0.42
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL23201219 0.98 F2 (0.49) F2KDM4EALDH1A1MAPTAPEX1
SCHEMBL1232537 0.86 HDAC6 (0.57) F2KDM4EALDH1A1MAPTTPSAB1
SCHEMBL29941136 0.86 HDAC6 (0.57) F2KDM4EALDH1A1MAPTTPSAB1
Hydrochloric Acid SCHEMBL30387231 0.84 KDM4E (0.56) F2KDM4EALDH1A1MAPTTPSAB1
Hydrochloric Acid SCHEMBL23201220 0.84 KDM4E (0.56) F2KDM4EALDH1A1MAPTTPSAB1
Hydrochloric Acid SCHEMBL30882627 0.84 KDM4E (0.56) F2KDM4EALDH1A1MAPTTPSAB1
SCHEMBL6165236 0.83 PLAU (0.40) F2TPSAB1F10PRSS1PLG
SCHEMBL476588 0.82 AR (0.52) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL29858564 0.82 KDM4E (0.44) KDM4EALDH1A1MAPTAPEX1RECQL
SCHEMBL2396812 0.81 HDAC6 (0.42) KDM4EALDH1A1MAPTAPEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509176-A 2007-04-12 JP claimed
EP-1682518-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-07-26 EP claimed
WO-2005040132-A1 DICATIONIC TRIARYL ANALOGS AS ANTI-PROTOZOAN AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-05-06 WO claimed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US claimed
US-20030225036-A1 Non-amidine containing protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-12-04 US claimed
EP-1265897-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-18 EP claimed
WO-2001070743-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP claimed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO claimed
US-4619942-A Inhibition of Respiratory Syncytial virus-induced cell fusion by amidino compounds UNIVERSITY OF NORTH CAROLINA (US) 1986-10-28 US claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4397863-A PROPHYLAXIS RESEARCH TRIANGLE INSTITUTE (US) 1983-08-09 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 US disclosed
US-4324794-A PREVENTION OF EPIDEMICS BY PROPHYLACTIC ADMINISTRATION RESEARCH TRIANGLE INSTITUTE (US) 1982-04-13 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-20030225036-A1 Non-amidine containing protease inhibitors TFPI, SERPINE1, HABP2 F2 5/4885KDM4E 2513/4885ALDH1A1 2131/4885

“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.