SCHEMBL10312123

SCHEMBL10312123

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NCCCN3CCOCC3)n2)n[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.45
FLT3 P36888 8/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LCK P06239 1/20 0.40
MAPK14 Q16539 1/20 0.40
GRK6 P43250 1/20 0.40
RAB9A P51151 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
AURKA O14965 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL10312176 0.91 MELK (0.46) MELKFLT3KEAP1NFE2L2LCK
SCHEMBL10312199 0.90 FLT3 (0.45) MELKFLT3GRK6RAB9AMEN1
SCHEMBL10312149 0.89 FLT3 (0.45) FLT3GRK6MEN1KMT2ASMN1; SMN2
SCHEMBL10312190 0.88 MELK (0.44) MELKFLT3KEAP1NFE2L2
SCHEMBL10312090 0.86 IDH2 (0.39) MELKKEAP1NFE2L2GRK6RAB9A
SCHEMBL10312231 0.84 HRH4 (0.49) HRH4KMT2ASMN1; SMN2POLBUSP2
SCHEMBL10312201 0.81 FLT3 (0.46) FLT3LCKGRK6MEN1KMT2A
SCHEMBL10312034 0.80 MELK (0.45) MELKFLT3KEAP1NFE2L2LCK
SCHEMBL10312124 0.80 HRH4 (0.50) FLT3LCKHRH4SMN1; SMN2AURKA
SCHEMBL10312133 0.80 NTRK1 (0.39) NFE2L2HRH4ABL1

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 MELK 169/4885FLT3 152/4885KEAP1 707/4885

“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.