SCHEMBL10312170

SCHEMBL10312170

CN1CCCN(c2nc(/C=C/c3cccc(Cl)c3)nc(Nc3cc(C4CC4)[nH]n3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.54
IGF1R P08069 2/20 0.45
PAK4 O96013 2/20 0.42
PAK1 Q13153 2/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
ABL1 P00519 2/20 0.42
NTRK1 P04629 2/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 2/20 0.42
RET P07949 2/20 0.42
KIT P10721 2/20 0.42
FGFR1 P11362 2/20 0.42
SRC P12931 2/20 0.42
PDGFRA P16234 2/20 0.42
TYK2 P29597 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
PTK2 Q05397 2/20 0.42
AURKB Q96GD4 2/20 0.42

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
SCHEMBL10312196 0.97 HRH4 (0.57) HRH4IGF1RPAK4PAK1PLK4
SCHEMBL10312128 0.93 PAK4 (0.47) HRH4IGF1RPAK4PAK1
SCHEMBL10312209 0.91 HRH4 (0.54) HRH4IGF1RPAK4PAK1PLK4
SCHEMBL10312108 0.89 HRH4 (0.57) HRH4PAK4PAK1PLK4AURKA
SCHEMBL10312233 0.88 HRH4 (0.56) HRH4IGF1RPAK4PAK1PLK4
SCHEMBL10312202 0.88 PAK4 (0.45) HRH4IGF1RPAK4PAK1
SCHEMBL10312139 0.87 AURKA (0.54) HRH4IGF1RPAK4PAK1PLK4
SCHEMBL10312117 0.87 HRH4 (0.45) HRH4IGF1RPAK4PAK1
SCHEMBL10312142 0.87 HRH4 (0.55) HRH4PAK4PAK1PLK4AURKA
SCHEMBL10312164 0.87 HRH4 (0.57) HRH4IGF1RPAK4PAK1PLK4

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-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-12 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-20120178758-A1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS STK25, STK35, SGK2 HRH4 2393/4885IGF1R 1148/4885PAK4 254/4885

“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.