SCHEMBL6538770

SCHEMBL6538770

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
NTRK1 P04629 3/20 0.38
CMKLR1 Q99788 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MERTK Q12866 1/20 0.34
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL6539037 0.87 NTRK1 (0.43) TP53POLBNTRK1CMKLR1BMPR1B
SCHEMBL6539043 0.86 TP53 (0.49) TP53POLBNTRK1CMKLR1BMPR1B
SCHEMBL6538929 0.86 TGFBR1 (0.37) TP53POLBCMKLR1BMPR1BBMPR1A
SCHEMBL6539714 0.85 CYP11B1 (0.39) TP53POLBNTRK1CMKLR1BMPR1B
SCHEMBL6538373 0.85 AKT1 (0.47) TP53POLBNTRK1MAPTRET
SCHEMBL6539298 0.84 BAZ2B (0.49) TP53POLBNTRK1
SCHEMBL21904999 0.83 TP53 (0.44) TP53POLBNTRK1MAPTKDM4E
SCHEMBL6538809 0.83 MEN1 (0.44) TP53POLBNTRK1CMKLR1MAPT
SCHEMBL6537981 0.83 BMPR1B (0.35) TP53POLBNTRK1CMKLR1BMPR1B
SCHEMBL6538406 0.83 AKT1 (0.40) TP53POLBCMKLR1BMPR1BBMPR1A

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 TP53 3830/4885POLB 2406/4885NTRK1 2778/4885

“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.