SCHEMBL21282811

SCHEMBL21282811

CSc1nc(Cl)c2cnn(C)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.45
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2D6 P10635 1/20 0.35
SRC P12931 4/20 0.35
ABL1 P00519 2/20 0.35

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
SCHEMBL21282879 0.80 SRC (0.45) SRCABL1HCKPIM1
SCHEMBL29385938 0.79 PI4KA (0.50) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL21282826 0.79 PI4KA (0.50) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL21282841 0.79 KDM4E (0.40) KMT2AKDM4ESRCABL1HCK
SCHEMBL2241487 0.79 SRC (0.46) SRCABL1HCKPIM1
SCHEMBL2241656 0.79 SRC (0.44) CYP1A2SRCABL1HCKPIM1
SCHEMBL55774 0.78 PDE2A (0.64) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL18343699 0.77 PDE2A (0.49) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL4258862 0.76 MEN1 (0.39) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL24954062 0.75 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling Université de Liège (BE) 2025-06-03 US disclosed
CN-113329753-B Pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, pollution and fouling 列日大学 2024-08-13 CN disclosed
EP-3955929-B1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING UNIV LIEGE (BE) 2024-05-15 EP disclosed
CN-111386271-B Pyrimidine derivatives for the prevention and treatment of bacterial infections 列日大学 2023-05-30 CN disclosed
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 EP disclosed
EP-3752506-B1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIV LIEGE (BE) 2022-12-14 EP disclosed
US-20220370453-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BCDIN3D ACTIVITY STORM THERAPEUTICS LIMITED (GB) 2022-11-24 US disclosed
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections Université de Liège (BE) 2022-09-06 US disclosed
EP-3986568-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OFBCDIN3D ACTIVITY Storm Therapeutics Ltd (GB) 2022-04-27 EP disclosed
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 US disclosed
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2021-09-23 US disclosed
CN-113329753-A Novel pyrimidine derivatives for the prevention and treatment of gram-negative bacterial infections, contaminations and dirt 列日大学 2021-08-31 CN disclosed
US-20210061804-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS Université de Liège (BE) 2021-03-04 US disclosed
US-20210061804-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS Université de Liège (BE) 2021-03-04 US disclosed
WO-2020254831-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OFBCDIN3D ACTIVITY STORM THERAPEUTICS LTD (GB) 2020-12-24 WO disclosed
WO-2020212553-A1 NEW PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING Université de Liège (BE) 2020-10-22 WO disclosed
CN-111386271-A Pyrimidine derivatives for the prevention and treatment of bacterial infections 列日大学 2020-07-07 CN disclosed
WO-2019158655-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS UNIVERSITE DE LIEGE (BE) 2019-08-22 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-20210061804-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTIONS TYMP, TYMS, UMPS PDE2A 923/4885KMT2A 4047/4885KDM4E 3355/4885
US-12318388-B2 Pyrimidine derivatives for prevention and treatment of gram-negative bacterial infection, contamination and fouling PIGS, TYMP, TYMS PDE2A 2461/4885KMT2A 4361/4885KDM4E 4080/4885
US-20210290625-A1 PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF GRAM-NEGATIVE BACTERIAL INFECTION, CONTAMINATION AND FOULING PIGS, TYMP, TYMS PDE2A 2461/4885KMT2A 4361/4885KDM4E 4080/4885
US-11434241-B2 Pyrimidine derivatives for prevention and treatment of bacterial infections TYMP, TYMS, UMPS PDE2A 923/4885KMT2A 4047/4885KDM4E 3355/4885
US-20220370453-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BCDIN3D ACTIVITY BCDIN3D, CDK3, CCNI PDE2A 3676/4885KMT2A 2859/4885KDM4E 872/4885

“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.