SCHEMBL129161

SCHEMBL129161

Cc1cccnc1C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
PDK2 Q15119 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PLAU P00749 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SSTR4 P31391 1/20 0.38
NR1H2 P55055 7/20 0.37
NR1H3 Q13133 7/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.35
CYP2A6 P11509 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL11559804 0.82 NOS3 (0.45) NOS3NOS1NOS2PDK2SMN1; SMN2
SCHEMBL127352 0.79 NOS3 (0.46) NOS3NOS1NOS2PDK2SMN1; SMN2
SCHEMBL31533100 0.79 NOS3 (0.46) NOS3NOS1NOS2PDK2SMN1; SMN2
Ammonia Solution, Strong SCHEMBL29243896 0.78 NOS3 (0.45) NOS3NOS1NOS2PDK2SMN1; SMN2
Hydrochloric Acid SCHEMBL28046298 0.78 NOS3 (0.45) NOS3NOS1NOS2PDK2SMN1; SMN2
SCHEMBL30816293 0.78 NOS3 (0.50) NOS3NOS1NOS2PDK2SMN1; SMN2
SCHEMBL130124 0.78 NOS3 (0.50) NOS3NOS1NOS2PDK2SMN1; SMN2
SCHEMBL129160 0.77 NR1H2 (0.33) PDK2SMN1; SMN2NR1H2NR1H3L3MBTL1
SCHEMBL17420642 0.74 SSTR4 (0.42) NOS3NOS1NOS2PDK2SMN1; SMN2
SCHEMBL30628207 0.74 SSTR4 (0.42) NOS3NOS1NOS2PDK2SMN1; SMN2

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 NOS3 515/4885NOS1 1066/4885NOS2 972/4885

“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.