SCHEMBL6538515

SCHEMBL6538515

CC(C)n1nc(-c2cc(C(=O)NCCN3CCOCC3)cnc2-c2ccccc2)ccc1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
CD274 Q9NZQ7 2/20 0.52
HPGD P15428 1/20 0.52
PSMD14 O00487 1/20 0.51
STAMBP O95630 1/20 0.51
HPGDS O60760 3/20 0.49
KDM5B Q9UGL1 3/20 0.49
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CAMK2D Q13557 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6539018 0.85 FYN (0.47) CD274CAMK2D
SCHEMBL6538498 0.83 HPGD (0.44) ADORA2AADORA1CD274HPGD
SCHEMBL6538755 0.83 HSD17B10 (0.46) HPGDKMT2ACAMK2D
SCHEMBL6133506 0.82 KDM5B (0.49) ADORA2AADORA1CD274HPGDHPGDS
SCHEMBL6538462 0.81 HPGDS (0.52) PSMD14HPGDSKMT2A
SCHEMBL6539298 0.80 BAZ2B (0.49) PSMD14STAMBP
SCHEMBL6539037 0.79 NTRK1 (0.43) KMT2A
SCHEMBL6539054 0.78 LMNA (0.49) ADORA2AADORA1PSMD14STAMBPLMNA
SCHEMBL6539043 0.78 TP53 (0.49) HPGDLMNA
SCHEMBL6538809 0.77 MEN1 (0.44) HPGDPSMD14LMNAKMT2A

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 ADORA2A 2/4885ADORA1 1/4885CD274 804/4885

“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.