SCHEMBL382894

SCHEMBL382894

O=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
CDK2 P24941 1/20 0.56
PIN1 Q13526 4/20 0.53
AXL P30530 1/20 0.47
MEN1 O00255 4/20 0.47
GABBR2 O75899 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 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
SCHEMBL29175759 0.99 KMT2A (0.59) KMT2ACDK2PIN1AXLMEN1
SCHEMBL8301782 0.99 KMT2A (0.59) KMT2ACDK2PIN1AXLMEN1
SCHEMBL27413443 0.97 KMT2A (0.54) KMT2ACDK2PIN1AXLMEN1
SCHEMBL1804937 0.94 PIN1 (0.56) KMT2ACDK2PIN1AXLMEN1
SCHEMBL384450 0.89 PIN1 (0.51) KMT2ACDK2PIN1AXLMEN1
SCHEMBL1265079 0.88 GSK3A (0.57) KMT2ACDK2PIN1AXLMEN1
SCHEMBL1265078 0.88 GSK3A (0.57) KMT2ACDK2PIN1AXLMEN1
SCHEMBL14589028 0.88 GSK3A (0.57) KMT2ACDK2PIN1AXLMEN1
SCHEMBL15974075 0.86 PIN1 (0.46) KMT2ACDK2PIN1CYP2C9
SCHEMBL23452638 0.84 PIN1 (0.52) KMT2ACDK2PIN1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812564-A EGFR-targeting proteolytic targeting chimeras, compositions and uses thereof 厦门宝太生物科技股份有限公司 2024-10-22 CN disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 US disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 US disclosed
US-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2024-04-18 US disclosed
CN-117756805-A Pteridinone derivatives as RSK inhibitors and their use 华东师范大学 2024-03-26 CN disclosed
CN-117384160-A Compounds as CDK inhibitors and uses thereof 华东理工大学 2024-01-12 CN disclosed
CN-117384161-A Compound for targeted degradation of CDK protein and application thereof 华东理工大学 2024-01-12 CN disclosed
WO-2024008097-A1 COMPOUND FOR TARGETED DEGRADATION OF CDK PROTEIN AND USE THEREOF 华东理工大学 2024-01-11 WO disclosed
CN-116529251-A Substituted fused bicyclic compounds as kinase inhibitors and their use 上海瑛派药业有限公司 2023-08-01 CN disclosed
WO-2022116943-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF 上海瑛派药业有限公司 2022-06-09 WO disclosed
WO-2006076595-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2006-07-20 WO disclosed
US-20060047118-A1 New pteridinones as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 US disclosed
WO-2006021547-A1 PTERIDINONES USED AS PLK (POLO LIKE KINASE) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 WO disclosed
EP-1590341-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2005-11-02 EP disclosed
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders PFIZER INC 2004-11-25 US disclosed
WO-2004065378-A1 2-AMINOPYRIDINE SUBSTITUTED HETEROCYCLES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US disclosed
CN-1373763-A Pteridinones and kinase inhibitors WARNER LAMBERT CO (US) 2002-10-09 CN disclosed
WO-2001019825-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-03-22 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 (5 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-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 KMT2A 919/4885CDK2 3/4885PIN1 781/4885
US-20240124464-A1 SUBSTITUTED FUSED BICYCLIC COMPOUND AS KINASE INHIBITOR AND USE THEREOF NUAK1, NUAK2, NEK11 KMT2A 897/4885CDK2 16/4885PIN1 1401/4885
US-20060047118-A1 New pteridinones as PLK inhibitors PLK2, PLK4, PLK3 KMT2A 1861/4885CDK2 29/4885PIN1 3007/4885
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B KMT2A 221/4885CDK2 1157/4885PIN1 899/4885
US-20040236084-A1 E.g., 4-Cyclopentylamino-2-(5-piperazin-1-yl-pyridin-2-ylamino)-pyrimidine-5-carbonitrile; potent inhibitors of cyclin-dependent kinases useful in treating cell proliferative disorders CDK4, CCNA1, CCNI KMT2A 669/4885CDK2 4/4885PIN1 648/4885

“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.