SCHEMBL23559591

SCHEMBL23559591

Cn1nc(N)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.46
PDGFRA P16234 1/20 0.43
CDK5 Q00535 1/20 0.43
TYRO3 Q06418 1/20 0.43
SLC22A12 Q96S37 7/20 0.43
KDM4E B2RXH2 4/20 0.43
CDC25B P30305 1/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
PLEC Q15149 1/20 0.40
SCN9A Q15858 2/20 0.39
KDR P35968 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL23559718 0.87 HCAR3 (0.50) HCAR3KDM4ECDC25BGAAALDH1A1
SCHEMBL23559702 0.83 KDM4E (0.50) PDGFRACDK5TYRO3KDM4EGAA
SCHEMBL25014733 0.83 RET (0.44) PDGFRACDK5TYRO3SCN9AKDR
SCHEMBL4509480 0.82 SLC22A12 (0.57) HCAR3SLC22A12KDM4EHTTTDP1
SCHEMBL30040324 0.82 SLC22A12 (0.57) HCAR3SLC22A12KDM4EHTTTDP1
SCHEMBL17785249 0.82 HCAR3 (0.47) HCAR3SLC22A12KDM4EALDH1A1HPGD
SCHEMBL31632926 0.81 HCAR3 (0.46) HCAR3SLC22A12KDM4EALDH1A1HPGD
SCHEMBL30204438 0.81 HCAR3 (0.46) HCAR3SLC22A12KDM4EGAAALDH1A1
SCHEMBL29241328 0.81 HCAR3 (0.46) HCAR3SLC22A12KDM4EGAAALDH1A1
SCHEMBL4261343 0.78 SLC22A12 (0.60) HCAR3SLC22A12KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY 2023-01-26 US disclosed
WO-2021127166-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY (US) 2021-06-24 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 (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-20230027198-A1 INHIBITORS OF ENL/AF9 YEATS MLLT3, YEATS2, MLLT1 HCAR3 1553/4885PDGFRA 3399/4885CDK5 467/4885

“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.