SCHEMBL4149080

SCHEMBL4149080

Brc1ccc(CNc2cncc(-c3ccncc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.44
NPC1 O15118 2/20 0.44
HDAC1 Q13547 1/20 0.43
FYN P06241 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALPL P05186 1/20 0.38

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
SCHEMBL28563905 0.85 KCNH2 (0.51) NPC1FYNKDRKCNH2ALPL
SCHEMBL4154749 0.85 ROCK2 (0.51) HDAC1FLT1KDRKDM4EALDH1A1
SCHEMBL4932096 0.85 KCNH2 (0.53) FYNKDRKCNH2LRRK2
SCHEMBL4928868 0.83 KIF11 (0.49) HDAC1FLT1KDRKCNH2KDM4E
SCHEMBL4148712 0.82 ALPL (0.51) NPC1HDAC1FYNMEN1KMT2A
SCHEMBL4160085 0.80 DYRK1A (0.52) NPC1FYNRAB9AGAAMAPT
SCHEMBL4149001 0.80 MEN1 (0.48) FYNMEN1KMT2AMAPTKDR
SCHEMBL22191444 0.80 GAA (0.47) HDAC1KMT2ARAB9AGAAMAPT
SCHEMBL4930265 0.79 CLK1 (0.49) FYNKCNH2
SCHEMBL4921246 0.79 FYN (0.50) HDAC1FYNMAPTKDRKCNH2

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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT AGER 251/4885NPC1 1679/4885HDAC1 2655/4885

“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.