SCHEMBL13629313

SCHEMBL13629313

Nc1ccc2cnc3ncc(Cl)cc3c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.41
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PDE10A Q9Y233 1/20 0.35
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PARP1 P09874 2/20 0.34
ROCK2 O75116 1/20 0.34
GAA P10253 1/20 0.34
ROCK1 Q13464 1/20 0.34
HIF1A Q16665 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
SCHEMBL2325786 0.83 MET (0.59) METMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4467541 0.80 NPC1 (0.42) METMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL13629314 0.79 MET (0.39) METIDO1PARP1MAPKAPK2RPS6KA3
SCHEMBL13629323 0.74 MET (0.39) METHTTHSD17B10
SCHEMBL4317048 0.72 MET (0.56) METPARP1
SCHEMBL14908778 0.67 HTT (0.54) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL4316318 0.67 MET (0.51) METPARP1
SCHEMBL4309829 0.67 MET (0.54) METMAPT
SCHEMBL4319932 0.67 MET (0.54) MET
SCHEMBL31378721 0.66 HTT (0.38) MAPTRAB9ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET MET 4/4885MAPT 3080/4885RAB9A 3100/4885

“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.