SCHEMBL131650

SCHEMBL131650

CC(C)Oc1cc(-c2cc3c(=O)[nH]ncc3n2COCC[Si](C)(C)C)ccc1OC(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.33
KCNH2 Q12809 5/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 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
SCHEMBL127198 0.89 PDE4D (0.35) GRIN2BKCNH2PDE4APDE4BPDE4C
SCHEMBL128249 0.88 PDE4D (0.35) GRIN2BKCNH2PDE4APDE4BPDE4C
SCHEMBL132486 0.87 PDE4D (0.42) PDE4BPDE4D
SCHEMBL131095 0.82 GRIN2B (0.34) GRIN2BKCNH2PDE4APDE4BPDE4C
SCHEMBL132038 0.82 GRIN2B (0.32) GRIN2BKCNH2PDE4APDE4BPDE4C
SCHEMBL131352 0.75
SCHEMBL128251 0.75 PDE4D (0.37) KCNH2PDE4APDE4BPDE4CPDE4D
SCHEMBL127991 0.73 NPC1 (0.35) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL128620 0.73 PRMT5 (0.31) GRIN2BKCNH2PDE4APDE4BPDE4C
SCHEMBL129930 0.72 PDE4D (0.32) GRIN2BKCNH2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 GRIN2B 734/4885KCNH2 34/4885PDE4A 3035/4885

“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.