SCHEMBL6539018

SCHEMBL6539018

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 6/20 0.47
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
BRD4 O60885 1/20 0.42
GABRA5 P31644 2/20 0.42
RIPK1 Q13546 1/20 0.41
NTRK1 P04629 2/20 0.40
TP53 P04637 1/20 0.40
CAMK2D Q13557 1/20 0.39
CGAS Q8N884 1/20 0.39
HDAC1 Q13547 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
SCHEMBL6538755 0.90 HSD17B10 (0.46) RIPK1NTRK1TP53CAMK2D
SCHEMBL6538462 0.88 HPGDS (0.52) L3MBTL1HDAC1
SCHEMBL6539298 0.87 BAZ2B (0.49) FYNBRD4NTRK1TP53
SCHEMBL6539037 0.85 NTRK1 (0.43) NTRK1TP53
SCHEMBL6539054 0.85 LMNA (0.49) L3MBTL1GABRA5
SCHEMBL6538515 0.85 ADORA2A (0.54) CD274CAMK2D
SCHEMBL6539043 0.84 TP53 (0.49) FYNNTRK1TP53
SCHEMBL6538809 0.84 MEN1 (0.44) GABRA5NTRK1TP53
SCHEMBL6538373 0.83 AKT1 (0.47) FYNNTRK1TP53
SCHEMBL6539714 0.81 CYP11B1 (0.39) FYNNTRK1TP53

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 FYN 723/4885NPSR1 294/4885L3MBTL1 4142/4885

“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.