SCHEMBL6538809

SCHEMBL6538809

COC(=O)c1cnc(-c2ccccc2)c(-c2ccc(=O)n(C(C)C)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.42
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
POLB P06746 3/20 0.40
PSMD14 O00487 1/20 0.39
GABRA5 P31644 3/20 0.39
CTSA P10619 2/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA1 P14867 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.89 NTRK1 (0.43) KMT2ATP53POLBKDM4ENTRK1
SCHEMBL6539298 0.88 BAZ2B (0.49) TP53POLBPSMD14CTSAALDH1A1
SCHEMBL6539043 0.88 TP53 (0.49) TP53KDRPOLBLMNAKDM4E
SCHEMBL6538373 0.87 AKT1 (0.47) TP53POLBALDH1A1HPGDNTRK1
SCHEMBL6539018 0.84 FYN (0.47) TP53GABRA5NTRK1
SCHEMBL6538462 0.84 HPGDS (0.52) MEN1KMT2APSMD14TSHRALDH1A1
SCHEMBL6538770 0.83 TP53 (0.39) KMT2ATP53KDRPOLBLMNA
SCHEMBL21904999 0.83 TP53 (0.44) TP53POLBLMNAKDM4EALDH1A1
SCHEMBL6538471 0.82 TP53 (0.45) KMT2ATP53KDRPOLBNTRK1
SCHEMBL6539229 0.82 ADORA2A (0.44) GABRA5TSHRALDH1A1HPGD

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 MEN1 2568/4885KMT2A 3111/4885TP53 3830/4885

“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.