SCHEMBL6538908

SCHEMBL6538908

CC(C)n1nc(-c2cc(-c3ncnn3C)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.35
PIK3CD O00329 7/20 0.35
ABL1 P00519 7/20 0.35
PIK3CA P42336 5/20 0.35
PIK3CB P42338 5/20 0.35
PIK3CG P48736 5/20 0.35
PRKDC P78527 5/20 0.35
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR3 P22607 2/20 0.35
RET P07949 1/20 0.34
BRD4 O60885 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
EGFR P00533 3/20 0.33
HCK P08631 3/20 0.33
KDR P35968 3/20 0.33
MTOR P42345 3/20 0.33
EPHB4 P54760 3/20 0.33

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
SCHEMBL6538756 0.89 POLB (0.37) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL6538477 0.86 ADORA2A (0.38) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL6538765 0.80 MET (0.40) RETPDE1APDE1BPDE1CPOLB
SCHEMBL6539038 0.79 ADORA2A (0.36) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL6538926 0.79 POLB (0.39) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL6539119 0.79 ADORA2A (0.36) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL6538453 0.78 RXFP1 (0.38)
SCHEMBL6538806 0.78 PDE1A (0.42) RETPDE1APDE1BPDE1CEGFR
SCHEMBL6538474 0.77 RET (0.41) SRCPIK3CDABL1PIK3CAPIK3CB
SCHEMBL6538517 0.77 AKT1 (0.39) SRCPIK3CDABL1PIK3CAPIK3CB

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 SRC 3470/4885PIK3CD 809/4885ABL1 3080/4885

“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.