SCHEMBL3426532

SCHEMBL3426532

COc1nnc(-c2ccncc2)cc1-c1[nH]c2cc(CN3CCN(C)CC3)ccc2c1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.46
TLR8 Q9NR97 11/20 0.46
TLR9 Q9NR96 9/20 0.46
PARP1 P09874 2/20 0.38
KIT P10721 1/20 0.37
FGFR1 P11362 2/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
FLT1 P17948 1/20 0.36
PARP2 Q9UGN5 1/20 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
SCHEMBL3427791 0.88 PARP1 (0.39) TLR7TLR8TLR9PARP1KIT
SCHEMBL3427546 0.85 TLR8 (0.40) TLR7TLR8TLR9PARP1KIT
SCHEMBL3421275 0.80 CHEK1 (0.43) PARP1
SCHEMBL3428325 0.78 CHEK1 (0.42) PARP1
SCHEMBL3427361 0.76 GSK3B (0.49) TLR7TLR8TLR9PARP1FGFR1
SCHEMBL3426316 0.74 GSK3B (0.47) TLR7TLR8TLR9PARP1FGFR1
SCHEMBL3421444 0.73 GSK3B (0.47) PARP1KITFGFR1KDRFLT1
SCHEMBL3428892 0.72 CHEK1 (0.44)
SCHEMBL3425881 0.70 GSK3B (0.49) TLR7TLR8TLR9PARP1KIT
SCHEMBL3427264 0.68 GSK3B (0.48) PARP1FGFR1KDRFLT1PARP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709466-B2 Pyridazinone derivatives, methods for their production and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-19 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-20070088041-A1 PYRIDAZINONE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS GSK3B, GSK3A, PDXK TLR7 4348/4885TLR8 4807/4885TLR9 4830/4885

“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.