SCHEMBL10312096

SCHEMBL10312096

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NC(C)c3ccncc3)n2)n[nH]1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
IDH1 O75874 2/20 0.33
KCNH3 Q9ULD8 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NFE2L2 Q16236 1/20 0.33
IDH2 P48735 3/20 0.32
GRK6 P43250 4/20 0.32
AURKA O14965 3/20 0.32
MAPK14 Q16539 4/20 0.32
MAPK13 O15264 3/20 0.32
MAPK12 P53778 3/20 0.32
MAPK11 Q15759 3/20 0.32
RAF1 P04049 2/20 0.32
MAPK9 P45984 2/20 0.32

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
SCHEMBL10312078 0.90 DHODH (0.41) MELKL3MBTL1HRH4KCNH3HDAC4
SCHEMBL10312137 0.87 GRK6 (0.36) HRH4GRK6AURKA
SCHEMBL10312185 0.86 NTRK1 (0.47)
SCHEMBL10312133 0.86 NTRK1 (0.39) L3MBTL1HRH4KCNH3NFE2L2IDH2
SCHEMBL10312129 0.80 KDM4E (0.41) IDH2
SCHEMBL10312126 0.80 IDH2 (0.47) MELKHRH4NFE2L2IDH2
SCHEMBL10312151 0.80 HRH4 (0.49) HRH4IDH2AURKA
SCHEMBL10312218 0.79 NTRK1 (0.44) GRK6AURKA
SCHEMBL10312029 0.78 HDAC4 (0.37) MELKL3MBTL1HRH4IDH1KCNH3
SCHEMBL10312098 0.78 IDH2 (0.37) L3MBTL1HRH4NFE2L2IDH2

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 169/4885L3MBTL1 1508/4885HRH4 2393/4885

“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.