SCHEMBL10312090

SCHEMBL10312090

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NCC(O)CN3CCOCC3)n2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 5/20 0.39
HRH4 Q9H3N8 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
MELK Q14680 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRK6 P43250 1/20 0.33
STAT6 P42226 1/20 0.32
CETP P11597 1/20 0.31
AURKA O14965 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL10312072 0.91 IDH2 (0.41) IDH2LMNAALDH1A1MAPTHTT
SCHEMBL10312200 0.91 GRK6 (0.35) HRH4ALDH1A1MAPTRAB9AMELK
SCHEMBL10312134 0.90 KMT2A (0.37) MAPTGRK6AURKAJAK3BTK
SCHEMBL16556861 0.88 IGF1R (0.42) IDH2
SCHEMBL10312123 0.86 MELK (0.45) HRH4KEAP1NFE2L2RAB9AMELK
SCHEMBL10312231 0.82 HRH4 (0.49) IDH2HRH4LMNAMAPTHTT
SCHEMBL10312188 0.82 JAK2 (0.41) AURKAJAK3BTK
SCHEMBL10312024 0.81 IDH2 (0.39) IDH2HRH4KEAP1NFE2L2LMNA
SCHEMBL10312193 0.80 AURKA (0.41) AURKAJAK3BTK
SCHEMBL16556839 0.80 GRK6 (0.33) HRH4MAPTGRK6AURKA

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 IDH2 745/4885HRH4 2393/4885KEAP1 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.