SCHEMBL29417852

SCHEMBL29417852

CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 9/20 1.00
PTPN1 P18031 3/20 0.59
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
AGPAT2 O15120 4/20 0.45
CYP2D6 P10635 1/20 0.43
MAOA P21397 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
SCN4A P35499 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
PDE3A Q14432 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
AURKA O14965 1/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL15757374 1.00 NUDT1 (1.00) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL17407834 0.90 NUDT1 (0.82) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL15757710 0.88 NUDT1 (0.78) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL15756934 0.87 NUDT1 (0.77) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL15757415 0.87 NUDT1 (0.77) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL15757546 0.86 NUDT1 (0.75) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL15757202 0.86 NUDT1 (0.75) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL17315298 0.85 NUDT1 (0.73) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL15756926 0.85 NUDT1 (0.73) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2
SCHEMBL15757292 0.85 NUDT1 (0.73) NUDT1PTPN1HSP90AA1HSP90AB1AGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041712-B Protoporphyrin modified cellulose grafted polylactic acid, tumor targeting stereocomplex drug-loaded nano micelle thereof, and preparation method and application thereof 四川大学 2024-05-03 CN claimed
CN-117883409-A Medicine-carrying calcium-based nano generator wrapped by plant-derived exosomes, preparation method and anti-tumor application thereof 中山大学·深圳 2024-04-16 CN claimed
CN-116041712-A Protoporphyrin modified cellulose grafted polylactic acid, tumor targeting stereocomplex drug-loaded nano micelle thereof, and preparation method and application thereof 四川大学 2023-05-02 CN claimed
CN-115554401-A Preparation of unsupported multifunctional nanoparticles based on ruthenium complex and anti-tumor application of unsupported multifunctional nanoparticles 重庆医科大学 2023-01-03 CN claimed
CN-119905139-B Application of small molecular substance TH287 in preventing and treating rice blast 南京农业大学 2025-11-28 CN disclosed
CN-119905139-B Application of small molecular substance TH287 in preventing and treating rice blast 南京农业大学 2025-11-28 CN disclosed
US-20250282803-A1 DIDEHYDRO-3'-DEOXY-4'-ETHYNYLTHYMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ROME THERAPEUTICS, INC. 2025-09-11 US disclosed
US-20250268925-A1 METHODS OF TREATING MEDICAL CONDITIONS AND INHIBITING LINE1 REVERSE TRANSCRIPTASE USING A SUBSTITUTED ADENINYL-PROPYLOXY PHOSPHONIC ACID OR RELATED COMPOUND ROME THERAPEUTICS, INC. 2025-08-28 US disclosed
US-20250186467-A1 METHODS OF TREATING MEDICAL CONDITIONS USING STAMPIDINE OR A RELATED COMPOUND ROME THERAPEUTICS, INC. 2025-06-12 US disclosed
US-20250186475-A1 METHODS OF TREATING MEDICAL CONDITIONS USING ISLATRAVIR OR A RELATED COMPOUND ROME THERAPEUTICS, INC. 2025-06-12 US disclosed
US-20250170158-A1 METHODS OF TREATING MEDICAL CONDITIONS USING CENSAVUDINE OR A RELATED COMPOUND ROME THERAPEUTICS, INC. 2025-05-29 US disclosed
US-20250145654-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. 2025-05-08 US disclosed
CN-110025627-B Medicine for preventing and treating tumor and its use 蔡剑平 2022-06-17 CN disclosed
US-20220175714-A1 USE OF RIVASTIGMINE IN PREPARATION OF ANTI-RADIATION MEDICAMENT SOOCHOW UNIVERSITY (CN) 2022-06-09 US disclosed
CN-108191774-B Heterocyclic compound, preparation method and application thereof 中国药科大学 2022-05-24 CN disclosed
EP-3307738-B1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE UNIV MICHIGAN REGENTS (US) 2022-04-20 EP disclosed
WO-2022051567-A1 SUBSTITUTED PYRIDO[2,3-B]PYRAZINONES AND REUATED COMPOUNDS AND THEIR USE IN TREATING MEDICAU CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 WO disclosed
WO-2022051569-A1 SUBSTITUTED 3-PIPERIDINYL-PYRROLO[2,3-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 WO disclosed
WO-2022051565-A1 SUBSTITUTED 4-PIPERIDINYL-QUINAZOLINES, 4-PIPERIDINYL-PYRIMIDINE-2-AMINES, AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 WO disclosed
WO-2022051568-A1 SUBSTITUTED 4-PIPERIDINYL-PYRROLO[2,3-B]PYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2022-03-10 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-20250170158-A1 METHODS OF TREATING MEDICAL CONDITIONS USING CENSAVUDINE OR A RELATED COMPOUND TRDMT1, TPMT, EHMT1 NUDT1 45/4885PTPN1 2463/4885HSP90AA1 2207/4885
US-20250268925-A1 METHODS OF TREATING MEDICAL CONDITIONS AND INHIBITING LINE1 REVERSE TRANSCRIPTASE USING A SUBSTITUTED ADENINYL-PROPYLOXY PHOSPHONIC ACID OR RELATED COMPOUND POLI, POLRMT, POLN NUDT1 65/4885PTPN1 2866/4885HSP90AA1 1099/4885
US-20250282803-A1 DIDEHYDRO-3'-DEOXY-4'-ETHYNYLTHYMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS DTYMK, DCK, POLK NUDT1 200/4885PTPN1 2952/4885HSP90AA1 2134/4885
US-20250186475-A1 METHODS OF TREATING MEDICAL CONDITIONS USING ISLATRAVIR OR A RELATED COMPOUND POLRMT, RNASE1, REV1 NUDT1 225/4885PTPN1 3624/4885HSP90AA1 1433/4885
US-20250186467-A1 METHODS OF TREATING MEDICAL CONDITIONS USING STAMPIDINE OR A RELATED COMPOUND EHMT1, TRDMT1, POLRMT NUDT1 980/4885PTPN1 1471/4885HSP90AA1 444/4885
US-20250145654-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 NUDT1 325/4885PTPN1 2063/4885HSP90AA1 2000/4885

“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.