SCHEMBL6539255

SCHEMBL6539255

CC(C)n1nc(-c2ccc(NCc3ccccn3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.40
SUMO3 P55854 1/20 0.39
SUMO2 P61956 1/20 0.39
SUMO1 P63165 1/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE1C Q14123 3/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL6539007 0.87 PDE9A (0.39) KDM4EHSD17B10HTTTP53HPGD
SCHEMBL6135245 0.86 CCNA2 (0.40) KDM4ENPC1RAB9AHSD17B10HIF1A
SCHEMBL6538385 0.85 RET (0.41) HSD17B10ADORA2AADORA1ALDH1A1FYN
SCHEMBL6538465 0.83 GPR84 (0.43) KDM4ERAB9AHSD17B10HTTHIF1A
SCHEMBL6538914 0.80 TP53 (0.38) KDM4EHSD17B10TP53ADORA2APDE1A
SCHEMBL6133468 0.80 ADORA2A (0.41) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL5147963 0.79 HIF1A (0.43) KDM4EHSD17B10HTTHIF1ASUMO3
SCHEMBL6133960 0.79 ADORA2A (0.47) KDM4EHTTHIF1ASUMO3SUMO2
SCHEMBL6539021 0.78 TP53 (0.45) KDM4ETP53SMN1; SMN2ADORA2AADORA1
SCHEMBL6539054 0.77 LMNA (0.49) KDM4ENPC1RAB9AHSD17B10HTT

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 KDM4E 3052/4885NPC1 1572/4885RAB9A 3144/4885

“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.