SCHEMBL6539714

SCHEMBL6539714

CC(C)n1nc(-c2cc(CO)cnc2-c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CMKLR1 Q99788 1/20 0.38
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
NTRK1 P04629 2/20 0.37

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
SCHEMBL6538770 0.85 TP53 (0.39) CMKLR1PIK3CDABL1EGFRHCK
SCHEMBL6539037 0.84 NTRK1 (0.43) CMKLR1TP53POLBMAPTNTRK1
SCHEMBL6539043 0.83 TP53 (0.49) CMKLR1PIK3CDABL1EGFRHCK
SCHEMBL6538929 0.83 TGFBR1 (0.37) CMKLR1TP53POLBMAPTPHGDH
SCHEMBL6538373 0.82 AKT1 (0.47) CYP11B1CYP11B2TP53POLBMAPT
SCHEMBL6538462 0.81 HPGDS (0.52) EGFRPHGDH
SCHEMBL6539018 0.81 FYN (0.47) TP53NTRK1FYN
SCHEMBL6539298 0.81 BAZ2B (0.49) TP53POLBNTRK1FYN
SCHEMBL21904999 0.81 TP53 (0.44) TP53POLBMAPTNTRK1KDM4E
SCHEMBL6538809 0.81 MEN1 (0.44) CMKLR1SRCKDRTP53POLB

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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 CYP11B1 1208/4885CYP11B2 1064/4885CMKLR1 3456/4885

“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.