SCHEMBL6000168

SCHEMBL6000168

CC(N)(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
RAB9A P51151 1/20 0.59
KIF11 P52732 2/20 0.42
CYP17A1 P05093 1/20 0.41
GCGR P47871 1/20 0.41
LTA4H P09960 1/20 0.39
LATS1 O95835 1/20 0.38
LATS2 Q9NRM7 1/20 0.38
MAPK14 Q16539 3/20 0.38
BRAF P15056 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
CYP19A1 P11511 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AR P10275 1/20 0.37
KCNN4 O15554 1/20 0.36

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
SCHEMBL5999463 0.81 USP2 (0.39) USP2RAB9AKIF11CYP17A1GCGR
SCHEMBL6000288 0.81 TSHR (0.46) USP2RAB9AKIF11CYP19A1KDM4E
SCHEMBL29582809 0.80 CYP19A1 (0.56) USP2RAB9ACYP17A1CYP19A1
SCHEMBL29549074 0.80 CYP19A1 (0.56) USP2RAB9ACYP17A1CYP19A1
SCHEMBL5999951 0.80 USP2 (0.55) USP2RAB9AKIF11CYP17A1GCGR
SCHEMBL5998796 0.80 KCNN4 (0.42) USP2RAB9AKIF11CYP17A1CYP19A1
SCHEMBL11684104 0.79 USP2 (0.70) USP2RAB9AKIF11CYP17A1GCGR
SCHEMBL6000109 0.79 KIF11 (0.42) USP2RAB9AKIF11CYP19A1KDM4E
SCHEMBL6000332 0.78 KIF11 (0.47) KIF11KCNN4
SCHEMBL14814698 0.77 GPR55 (0.41) USP2RAB9AKIF11CYP17A1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C USP2 3011/4885RAB9A 3582/4885KIF11 3865/4885

“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.