SCHEMBL6539007

SCHEMBL6539007

CC(C)n1nc(-c2ccc(NCc3ccccc3)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.39
ACHE P22303 1/20 0.38
XDH P47989 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
CASR P41180 1/20 0.37
HSD17B10 Q99714 3/20 0.36
F2 P00734 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 2/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KLKB1 P03952 2/20 0.36

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
SCHEMBL6538385 0.94 RET (0.41) PDE9AACHEADORA2AADORA1HSD17B10
SCHEMBL6538465 0.91 GPR84 (0.43) PDE9AKDM4EHSD17B10F2HTT
SCHEMBL6539255 0.87 KDM4E (0.41) KDM4EADORA2AADORA1HSD17B10SMN1; SMN2
SCHEMBL6538914 0.84 TP53 (0.38) KDM4EADORA2AHSD17B10TP53
SCHEMBL6539021 0.82 TP53 (0.45) KDM4EADORA3ADORA2AADORA2BADORA1
SCHEMBL6538384 0.80 TP53 (0.44) KDM4EADORA3ADORA2AADORA1LMNA
SCHEMBL6539065 0.79 ADORA1 (0.43) ADORA1SMN1; SMN2LMNATP53CYP1A2
SCHEMBL6539191 0.78 TP53 (0.38) KDM4EADORA2AADORA1TP53
SCHEMBL6539239 0.78 POLB (0.40) KDM4EADORA2ALMNATP53ALDH1A1
SCHEMBL6133821 0.78 TGFBR1 (0.44) PDE9AKDM4EADORA2AADORA1HSD17B10

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 PDE9A 282/4885ACHE 24/4885XDH 139/4885

“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.