SCHEMBL25825736

SCHEMBL25825736

Cc1cc(C(=O)OCc2ccccc2)cnc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
KMT2A Q03164 3/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
LMNA P02545 3/20 0.54
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
JMJD6 Q6NYC1 1/20 0.48
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL20830744 0.86 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL20305861 0.82 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL26412819 0.80 CYP2C9 (0.56) TDP1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL15075593 0.79 KMT2A (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL12377619 0.79 TDP1 (0.60) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL3042119 0.79 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL15315001 0.79 TDP1 (0.64) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL14644364 0.79 KMT2A (0.71) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL20305867 0.78 KMT2A (0.62) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL18827686 0.78 TDP1 (0.58) TDP1KMT2ASLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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 (1 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-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 TDP1 110/4885KMT2A 1245/4885SLC6A2 4680/4885

“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.