SCHEMBL6000288

SCHEMBL6000288

Cc1ccc(C(C)(N)c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
KIF11 P52732 2/20 0.43
CYP19A1 P11511 3/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
PTGS2 P35354 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL10843149 0.86 TSHR (0.60) TSHRKIF11CYP19A1RAB9ANPC1
SCHEMBL13096621 0.82 TSHR (0.50) TSHRKIF11CYP19A1RAB9ANPC1
SCHEMBL6000168 0.81 USP2 (0.59) KIF11CYP19A1RAB9AKDM4EUSP2
SCHEMBL6000109 0.81 KIF11 (0.42) TSHRKIF11CYP19A1RAB9ANPC1
SCHEMBL6000332 0.80 KIF11 (0.47) TSHRKIF11MAPTKMT2A
SCHEMBL5999948 0.79 TSHR (0.38) TSHRKIF11CYP19A1RAB9ANPC1
SCHEMBL5998626 0.79 CYP19A1 (0.54) KIF11CYP19A1TDP1LMNA
SCHEMBL10806896 0.77 KIF11 (0.50) TSHRKIF11ACHEMEN1KMT2A
SCHEMBL5999463 0.75 USP2 (0.39) KIF11CYP19A1RAB9AUSP2
SCHEMBL5999694 0.75 TSHR (0.44) TSHRKIF11CYP19A1RAB9ANPC1

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 TSHR 1308/4885KIF11 3865/4885CYP19A1 4624/4885

“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.