SCHEMBL6000278

SCHEMBL6000278

CCC(N)(c1ccncc1)c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.40
KIF11 P52732 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.37
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F2 P00734 1/20 0.36
MEN1 O00255 2/20 0.36
NT5E P21589 1/20 0.36
ACHE P22303 1/20 0.35
RAB9A P51151 2/20 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
SCHEMBL5999709 0.82 KIF11 (0.49) KIF11MAPT
SCHEMBL6000276 0.82 CYP19A1 (0.43) KIF11KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL5999440 0.82 CA1 (0.38) KIF11RAB9AMAPTMAPK1HTT
SCHEMBL6000236 0.82 KCNN4 (0.40) KIF11CYP3A4KMT2ARAB9A
SCHEMBL5999948 0.80 TSHR (0.38) MAPK14KIF11CYP3A4LMNAKMT2A
SCHEMBL6276650 0.79 KIF11 (0.45) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL15552784 0.74 KIF11 (0.50) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6000325 0.73 CYP17A1 (0.39) MAPK14KIF11CYP3A4RAB9A
SCHEMBL5999593 0.73 TSHR (0.41) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5999958 0.72 RAB9A (0.39) KIF11RAB9A

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 MAPK14 2064/4885KIF11 3865/4885CYP3A4 2214/4885

“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.