SCHEMBL12402802

SCHEMBL12402802

CCOC(=O)Cn1nc(C)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.44
TRPM2 O94759 1/20 0.44
CYP2C19 P33261 2/20 0.44
ASAH1 Q13510 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1834368 0.87 LMNA (0.47) GAAPOLBMAPK1TRPM2CYP2C19
SCHEMBL12636227 0.86 POLB (0.43) GAAPOLBMAPK1TRPM2CYP2C19
SCHEMBL12636203 0.85 MAPK14 (0.48) GAAPOLBMAPK1TRPM2CYP2C19
SCHEMBL31459755 0.84 ASAH1 (0.40) GAAASAH1ALDH1A1SMN1; SMN2HTT
SCHEMBL17653946 0.81 LMNA (0.62) GAAPOLBASAH1ALDH1A1SMN1; SMN2
SCHEMBL13169959 0.81 LMNA (0.45) GAAPOLBASAH1CYP2C9ALDH1A1
SCHEMBL31648423 0.81 GRIN1 (0.45) GAAPOLBMAPK1TRPM2CYP2C19
SCHEMBL3170230 0.80 LMNA (0.64) GAAPOLBMAPK1CYP2C19ALDH1A1
SCHEMBL12636204 0.79 CYP2C19 (0.46) GAAPOLBMAPK1TRPM2CYP2C19
SCHEMBL26926832 0.78 MAPK1 (0.49) GAAPOLBMAPK1CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 GAA 4457/4885POLB 4574/4885MAPK1 4164/4885

“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.