SCHEMBL25652168

SCHEMBL25652168

C=Cc1ccnc(C=C)c1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 6/20 0.37
ALOX15 P16050 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90B1 P14625 2/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
HTT P42858 2/20 0.35
PTGS1 P23219 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL25652150 0.84 KDM4E (0.40) CA12CA1CA2CA7CA9
SCHEMBL15729554 0.83 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL27775349 0.80 KDM4E (0.34) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL19443373 0.74 HCRTR1 (0.41)
SCHEMBL21958003 0.73 TDP1 (0.53) KDM4EALOX15L3MBTL1HTTALDH1A1
SCHEMBL31133050 0.73 ATR (0.44) KDM4EALOX15L3MBTL1KDM6BKDM5C
SCHEMBL6121113 0.73 KDM4E (0.41) KDM4EALOX15L3MBTL1KDM6BKDM5C
SCHEMBL31133199 0.73 ATR (0.44) KDM4EALOX15L3MBTL1KDM6BKDM5C
SCHEMBL15729582 0.73 GCK (0.40) CA12CA1CA2CA7CA9
SCHEMBL21958096 0.73 L3MBTL1 (0.44) KDM4EALOX15L3MBTL1KDM6BKDM5C

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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD CA12 3431/4885CA1 4215/4885CA2 2833/4885

“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.