SCHEMBL4867295

SCHEMBL4867295

CNc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 15/20 0.61
GALR2 O43603 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.41
PKM P14618 1/20 0.39

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
Alcohol SCHEMBL27702458 0.92 PIN1 (0.55) PIN1GALR2LMNAPOLBL3MBTL1
SCHEMBL1496408 0.82 PIN1 (0.57) PIN1L3MBTL1GSK3B
SCHEMBL1804900 0.82 PIN1 (0.57) PIN1L3MBTL1
SCHEMBL25808295 0.81 LMNA (0.51) PIN1GALR2LMNAPOLBL3MBTL1
SCHEMBL1521779 0.81 GSK3B (0.53) PIN1GALR2LMNAPOLBL3MBTL1
SCHEMBL16011456 0.79 L3MBTL1 (0.62) PIN1GALR2LMNAPOLBL3MBTL1
SCHEMBL28657847 0.79 PIN1 (0.57) PIN1L3MBTL1GSK3B
SCHEMBL4138613 0.79 PIN1 (0.53) PIN1L3MBTL1
SCHEMBL4191609 0.79 PIN1 (0.53) PIN1L3MBTL1
SCHEMBL17168791 0.79 PIN1 (0.53) PIN1L3MBTL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008780-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2026-01-08 US disclosed
EP-4536350-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES Nodthera Limited (GB) 2025-04-16 EP disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 US disclosed
WO-2024131893-A1 IRE1α SMALL MOLECULE INHIBITORS SHANGHAI YI ZHONG XING BIOTECHNOLOGY CO., LTD. (CN) 2024-06-27 WO disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 US disclosed
WO-2024123968-A1 RNA TARGETING COMPOUNDS AND USES THEREOF RANAR THERAPEUTICS, INC. (US) 2024-06-13 WO disclosed
EP-4367113-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS Biogen MA Inc. (US) 2024-05-15 EP disclosed
WO-2023240134-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-12-14 WO disclosed
US-20230242529-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2023-08-03 US disclosed
US-11639354-B2 Heterocyclic compound FIMECS, INC. (JP) 2023-05-02 US disclosed
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 WO disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 EP disclosed
EP-1409487-A1 PTERIDINONES AS KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-04-21 EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US disclosed
US-20030130286-A1 Pteridinones as kinase inhibitors DENNY WILLIAM ALEXANDER (NZ) 2003-07-10 US disclosed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 WO 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 (7 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-20230242529-A1 HETEROCYCLIC COMPOUND XIAP, BIRC5, BIRC3 PIN1 53/4885GALR2 4392/4885LMNA 1743/4885
US-20030130286-A1 Pteridinones as kinase inhibitors CCNI, CCNK, CDK2 PIN1 781/4885GALR2 3276/4885LMNA 1968/4885
US-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 PIN1 1896/4885GALR2 1568/4885LMNA 2087/4885
US-20260008780-A1 SUBSTITUTED 3,4-DIHYDROISOQUINOLIN-1(2H)-ONE DERIVATIVES AND RELATED USES NOD1, NLRP3, CASP1 PIN1 4031/4885GALR2 1570/4885LMNA 650/4885
US-11639354-B2 Heterocyclic compound XIAP, BIRC5, BIRC3 PIN1 53/4885GALR2 4392/4885LMNA 1743/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 PIN1 648/4885GALR2 3344/4885LMNA 1618/4885
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B PIN1 899/4885GALR2 4837/4885LMNA 3695/4885

“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.