SCHEMBL2461952

SCHEMBL2461952

c1cc2[nH]ncc2cc1-c1cnon1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.58
PIM1 P11309 8/20 0.58
ROCK2 O75116 8/20 0.58
AURKB Q96GD4 7/20 0.58
JAK2 O60674 3/20 0.58
KDR P35968 2/20 0.58
PAK4 O96013 1/20 0.58
CDK5 Q00535 5/20 0.54
DYRK1A Q13627 5/20 0.54
CLK2 P49760 4/20 0.54
CLK4 Q9HAZ1 4/20 0.54
CLK1 P49759 2/20 0.54
DYRK1B Q9Y463 2/20 0.54
DYRK3 O43781 2/20 0.54
CLK3 P49761 1/20 0.54
CDK5R1 Q15078 1/20 0.54
DYRK2 Q92630 1/20 0.54
NOS1 P29475 3/20 0.50
ROCK1 Q13464 5/20 0.49
DAPK3 O43293 4/20 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
SCHEMBL2460632 0.87 FGFR1 (0.54) GSK3BPIM1ROCK2AURKBJAK2
SCHEMBL2458511 0.79 NPC1 (0.50) CDK5DYRK1ADYRK1BDYRK3CDK5R1
SCHEMBL2457606 0.77 GSK3B (0.58) GSK3BPIM1ROCK2AURKBJAK2
SCHEMBL2461143 0.73 GSK3B (0.53) GSK3BPIM1ROCK2AURKBJAK2
SCHEMBL2457760 0.73 GSK3B (0.66) GSK3BPIM1ROCK2AURKBJAK2
SCHEMBL2459978 0.72 GSK3B (0.60) GSK3BPIM1ROCK2AURKBJAK2
SCHEMBL2461778 0.72 GSK3B (0.59) GSK3BPIM1ROCK2AURKBJAK2
SCHEMBL2459152 0.72 BRD4 (0.50) DYRK1BLCKCDK8BTKMAPK1
SCHEMBL3799521 0.71 CLK1 (0.61) GSK3BPIM1ROCK2AURKBJAK2
SCHEMBL2455150 0.71 KDM4E (0.41) ACVR1KDM4EALDH1A1MAPTHPGD

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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-29 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-20110237633-A1 SMALL MOLECULE MODULATORS OF HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET GSK3B 817/4885PIM1 1476/4885ROCK2 1181/4885

“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.