SCHEMBL384450

SCHEMBL384450

O=[N+]([O-])c1cnc(Cl)nc1NC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 8/20 0.51
MAPK1 P28482 3/20 0.46
CDK2 P24941 1/20 0.45
KMT2A Q03164 2/20 0.45
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
PIK3CA P42336 1/20 0.39
AXL P30530 1/20 0.38
BCL6 P41182 1/20 0.38
BCOR Q6W2J9 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL6892972 0.92 PIN1 (0.49) PIN1MAPK1CDK2KMT2AGSK3A
SCHEMBL1804937 0.92 PIN1 (0.56) PIN1CDK2KMT2AGSK3AGSK3B
SCHEMBL382894 0.89 KMT2A (0.57) PIN1MAPK1CDK2KMT2AGSK3A
SCHEMBL27413443 0.89 KMT2A (0.54) PIN1MAPK1CDK2KMT2AGSK3A
SCHEMBL23452638 0.88 PIN1 (0.52) PIN1CDK2KMT2AGSK3AGSK3B
SCHEMBL8301782 0.88 KMT2A (0.59) PIN1MAPK1CDK2KMT2AGSK3A
SCHEMBL29175759 0.88 KMT2A (0.59) PIN1MAPK1CDK2KMT2AGSK3A
SCHEMBL14589028 0.85 GSK3A (0.57) PIN1CDK2KMT2AGSK3AGSK3B
SCHEMBL1265078 0.85 GSK3A (0.57) PIN1CDK2KMT2AGSK3AGSK3B
SCHEMBL1265079 0.85 GSK3A (0.57) PIN1CDK2KMT2AGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12215108-B2 Development of potential antidotes for arsenicals SOUTHERN RESEARCH INSTITUTE (US) 2025-02-04 US disclosed
CN-118027034-A Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2024-05-14 CN disclosed
WO-2023133354-A2 DEVELOPMENT OF POTENTIAL ANTIDOTES FOR ARSENICALS SOUTHERN RESEARCH INSTITUTE (US) 2023-07-13 WO disclosed
US-20230219958-A1 Development of Potential Antidotes for Arsenicals THE UAB RESEARCH FOUNDATION 2023-07-13 US disclosed
US-20230219958-A1 Development of Potential Antidotes for Arsenicals THE UAB RESEARCH FOUNDATION 2023-07-13 US disclosed
CN-114249753-A Triazolopyridine kinase inhibitors 山东轩竹医药科技有限公司 2022-03-29 CN disclosed
US-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 US disclosed
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 EP disclosed
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-02-11 US disclosed
US-9187479-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
EP-2112151-A2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2009-10-28 EP disclosed
EP-1838710-B1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2009-07-01 EP disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
EP-2010186-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-01-07 EP disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
WO-2007127382-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-11-08 WO disclosed
EP-1838710-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2007-10-03 EP disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith PHARMACOPEIA, LLC 2006-12-21 US disclosed
WO-2006076595-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2006-07-20 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 (6 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 PIN1 749/4885MAPK1 16/4885CDK2 275/4885
US-12215108-B2 Development of potential antidotes for arsenicals RIPK1, RIPK3, RIPK4 PIN1 3857/4885MAPK1 789/4885CDK2 885/4885
US-20230219958-A1 Development of Potential Antidotes for Arsenicals RIPK1, RIPK3, RIPK4 PIN1 3857/4885MAPK1 789/4885CDK2 885/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 PIN1 1087/4885MAPK1 4/4885CDK2 306/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 PIN1 1056/4885MAPK1 18/4885CDK2 311/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 PIN1 1056/4885MAPK1 18/4885CDK2 311/4885

“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.