SCHEMBL22809487

SCHEMBL22809487

NCCOc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 3/20 0.45
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
AAK1 Q2M2I8 4/20 0.42
PARP1 P09874 1/20 0.41
GRM4 Q14833 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
KDR P35968 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
AURKB Q96GD4 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PLK4 O00444 1/20 0.39
DYRK3 O43781 1/20 0.39
CHEK2 O96017 1/20 0.39
FGFR1 P11362 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL30450110 0.91 GSK3A (0.41) GAKADRB2NCF1AAK1PARP1
Trifluoroacetic Acid SCHEMBL20595199 0.91 GSK3A (0.41) GAKADRB2NCF1AAK1PARP1
SCHEMBL15473239 0.86 GAK (0.48) GAKADRB2NCF1AAK1PARP1
SCHEMBL4419956 0.86 GAK (0.45) GAKADRB2NCF1AAK1PARP1
SCHEMBL12968479 0.84 GAK (0.47) GAKADRB2NCF1AAK1PARP1
SCHEMBL1461737 0.83 GAK (0.46) GAKADRB2NCF1AAK1PARP1
SCHEMBL25403151 0.82 GAK (0.43) GAKADRB2NCF1AAK1PARP1
SCHEMBL4592658 0.82 GAK (0.43) GAKADRB2NCF1AAK1PARP1
SCHEMBL28351290 0.82 CLK4 (0.42) GAKADRB2NCF1AAK1PARP1
SCHEMBL7503944 0.81 CYP11B1 (0.58) GAKADRB2NCF1PARP1GRM4

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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers RAQUALIA PHARMA INC. (JP) 2021-10-26 US disclosed
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 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-11154544-B2 Amide derivatives as Nav1.7 and Nav1.8 blockers SCN8A, SCN7A, SCN1A GAK 3108/4885ADRB2 1182/4885NCF1 1844/4885

“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.