SCHEMBL6000282

SCHEMBL6000282

Clc1cccc(NCc2ccncc2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.60
GRK2 P25098 1/20 0.60
KDR P35968 4/20 0.59
FLT1 P17948 2/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
NAMPT P43490 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
EGFR P00533 1/20 0.49
RAB9A P51151 1/20 0.49
PABPC1 P11940 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL631634 0.84 LMNA (0.59) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL632349 0.84 EGFR (0.59) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL6000398 0.84 ALDH1A1 (0.49) ROCK2GRK2KDRFLT1ALDH1A1
SCHEMBL3905327 0.83 KDR (0.53) ROCK2GRK2KDRALDH1A1MAPT
Hydrochloric Acid SCHEMBL7102271 0.82 LMNA (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2908532 0.82 LTA4H (0.66) ALDH1A1MAPTNAMPTMEN1KMT2A
SCHEMBL632217 0.82 CHRM2 (0.55) ROCK2GRK2ALDH1A1MAPTMEN1
SCHEMBL5534294 0.80 GRK2 (0.59) ROCK2GRK2KDRFLT1ALDH1A1
SCHEMBL11510373 0.80 GAA (0.51) ROCK2GRK2ALDH1A1MAPTMEN1
SCHEMBL5998792 0.79 FLT1 (0.55) GRK2KDRFLT1ALDH1A1MAPT

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 ROCK2 3288/4885GRK2 121/4885KDR 651/4885

“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.