SCHEMBL1758829

SCHEMBL1758829

COc1ccc(Br)c(CO)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NNMT P40261 2/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
NQO2 P16083 3/20 0.33
TXNRD1 Q16881 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL2081951 0.87 POLB (0.35) POLBTDP1NNMTMTNR1AMTNR1B
SCHEMBL9202948 0.84 POLB (0.38) POLBTDP1NNMTMTNR1AMTNR1B
SCHEMBL17978162 0.82 POLB (0.33) POLBTDP1NNMTMTNR1AMTNR1B
SCHEMBL10264276 0.81 PDE10A (0.39) MTNR1AMTNR1BTXNRD1
SCHEMBL2078322 0.80 MTNR1A (0.40) POLBTDP1NNMTMTNR1AMTNR1B
SCHEMBL2082030 0.80 NNMT (0.36) POLBTDP1NNMTMTNR1AMTNR1B
SCHEMBL30908739 0.80 SMN1; SMN2 (0.39) POLBTDP1NNMTKDM4EALDH1A1
SCHEMBL19838014 0.79 SIRT2 (0.34) POLBTDP1NNMTNQO2SIRT2
SCHEMBL19810782 0.79 PGK1 (0.37) POLBTDP1NNMTMTNR1AMTNR1B
SCHEMBL28594753 0.79 KDM4E (0.39) POLBTDP1NNMTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503471-B2 Triazatricycle compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2025-12-23 US disclosed
US-20250282782-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORP (US) 2025-09-11 US disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
WO-2025096751-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
CN-119212994-A Pyrazolopyrazine compounds as SHP2 inhibitors 建新公司 2024-12-27 CN disclosed
EP-4448526-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2024-10-23 EP disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20240124442-A1 TRICYCLIC-AMIDO-BICYCLIC PRMT5 INHIBITORS AMGEN INC. (US) 2024-04-18 US disclosed
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2009-03-05 US disclosed
US-20090054474-A1 Novel pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2009-02-26 US disclosed
EP-1899334-B1 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
EP-1899334-B1 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
US-7417054-B2 Naphthyridine compounds JANSSEN PHARMACEUTICA N.V. (BG) 2008-08-26 US disclosed
US-7417054-B2 Naphthyridine compounds JANSSEN PHARMACEUTICA N.V. (BG) 2008-08-26 US disclosed
US-7417054-B2 Naphthyridine compounds JANSSEN PHARMACEUTICA N.V. (BG) 2008-08-26 US disclosed
EP-1899334-A2 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
WO-2006138714-A2 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO disclosed
US-20060287292-A1 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US 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 (8 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-20060287292-A1 NAPHTHYRIDINE COMPOUNDS HRH3, HRH4, HRH1 POLB 3248/4885TDP1 3315/4885NNMT 137/4885
US-20250282782-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS PTPN5, PTPN2, PTPRJ POLB 4537/4885TDP1 2457/4885NNMT 2593/4885
US-20090054474-A1 Novel pyrimidine compound having benzyl(pyridylmethyl)amine structure and medicament comprising the same CETP, TYMP, MTTP POLB 369/4885TDP1 126/4885NNMT 165/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 POLB 3791/4885TDP1 2083/4885NNMT 2441/4885
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 POLB 2135/4885TDP1 855/4885NNMT 599/4885
US-20240124442-A1 TRICYCLIC-AMIDO-BICYCLIC PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 POLB 1837/4885TDP1 923/4885NNMT 193/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 POLB 3791/4885TDP1 2083/4885NNMT 2441/4885
US-12503471-B2 Triazatricycle compounds for the treatment of autoimmune disease SSB, HLA-DRB1, PKD1 POLB 2057/4885TDP1 2522/4885NNMT 1008/4885

“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.