SCHEMBL5998633

SCHEMBL5998633

CCC(N)(c1cccnc1)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.42
CYP3A4 P08684 4/20 0.41
CYP3A5 P20815 4/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNA5 P22460 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNN4 O15554 1/20 0.36
KIF11 P52732 1/20 0.35

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
SCHEMBL5999432 0.85 GPR55 (0.44) CYP19A1CYP3A4CYP3A5KCNA5
SCHEMBL5999990 0.84 CYP19A1 (0.40) CYP19A1KCNA5KCNN4KIF11
SCHEMBL6000325 0.83 CYP17A1 (0.39) CYP19A1CYP3A4RAB9AKCNN4KIF11
SCHEMBL5999956 0.82 CYP19A1 (0.37) CYP19A1CYP3A4CYP3A5KCNA5KIF11
SCHEMBL6000488 0.82 CYP19A1 (0.63) CYP19A1CYP3A4CYP3A5
SCHEMBL5999695 0.81 KCNA5 (0.49) CYP19A1CYP3A4KCNA5
SCHEMBL5999722 0.81 CYP19A1 (0.57) CYP19A1
SCHEMBL6000369 0.80 CYP19A1 (0.51) CYP19A1CYP3A4KCNA5NPC1RAB9A
SCHEMBL6000517 0.80 CYP19A1 (0.45) CYP19A1CYP3A4CYP3A5KIF11
SCHEMBL5999986 0.79 CYP19A1 (0.48) CYP19A1CYP3A4CYP3A5KCNA5

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-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
EP-1343497-A4 $g(D)?2 ,-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 BIOSCIENCES INC (US) 2005-01-26 EP disclosed
EP-1343497-A1 $g(D)?2 ,-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 Biosciences, Inc. (US) 2003-09-17 EP disclosed
WO-2002036119-A1 Δ2,-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 BIOSCIENCES, INC. (US) 2002-05-10 WO 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 CYP19A1 4624/4885CYP3A4 2214/4885CYP3A5 2330/4885

“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.