SCHEMBL23780720

SCHEMBL23780720

CCOC(=O)c1cc(Cl)nc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.61
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
JAK3 P52333 5/20 0.43
JAK1 P23458 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
JAK2 O60674 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 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
SCHEMBL29442152 1.00 NUDT1 (0.61) NUDT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL31347077 0.86 KDM4E (0.58) NUDT1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2158555 0.86 KDM4E (0.58) NUDT1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14760220 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL29904837 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL2158798 0.78 KDM4E (0.41) NUDT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL10110217 0.77 NUDT1 (0.43) NUDT1JAK3JAK1JAK2
SCHEMBL31716012 0.77 HPGD (0.54) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL256760 0.76 NUDT1 (1.00) NUDT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL29678449 0.76 NUDT1 (1.00) NUDT1KDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC (CA) 2025-06-05 US disclosed
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors REPARE THERAPEUTICS INC. (CA) 2025-04-01 US disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 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 (4 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-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 NUDT1 1592/4885KDM4E 3285/4885ALDH1A1 4079/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 NUDT1 1538/4885KDM4E 2564/4885ALDH1A1 3792/4885
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors ATR, CHEK2, CHEK1 NUDT1 1592/4885KDM4E 3285/4885ALDH1A1 4079/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 NUDT1 1592/4885KDM4E 3285/4885ALDH1A1 4079/4885

“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.