SCHEMBL4182709

SCHEMBL4182709

CC(C)OC(=O)Nc1ccncc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 1/20 0.41
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
IDH2 P48735 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
FLT4 P35916 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38

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
SCHEMBL4168512 0.81 ROCK2 (0.44) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL17980965 0.79 GAA (0.44) NPC1CYP1A2SMN1; SMN2GAAIDH2
SCHEMBL4171305 0.78 NOD2 (0.50) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL4181475 0.78 BCHE (0.46) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL6361945 0.75 MAPK1 (0.45) HPGDSMN1; SMN2GAAIDH2DYRK3
SCHEMBL19308412 0.73 ALDH1A1 (0.50) SMN1; SMN2GAAIDH2DYRK3PRKD3
SCHEMBL28065059 0.72 NPC1 (0.46) NPC1GAAKDM4E
SCHEMBL7932228 0.72 LMNA (0.47) NPC1RAB9AGAAIDH2LMNA
SCHEMBL4174121 0.71 HPGD (0.62) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL883732 0.70 SLC22A12 (0.44) CYP2D6CYP2C19SMN1; SMN2GAADYRK3

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-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 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 (3 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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 KCNJ11 2209/4885NPC1 1577/4885CYP1A2 859/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX KCNJ11 762/4885NPC1 1914/4885CYP1A2 338/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 KCNJ11 2385/4885NPC1 1763/4885CYP1A2 509/4885

“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.