SCHEMBL10312181

SCHEMBL10312181

Cc1cc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(N(C)C)n2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.48
DHODH Q02127 1/20 0.43
NFE2L2 Q16236 1/20 0.40
NTRK1 P04629 5/20 0.40
AURKA O14965 5/20 0.40
AURKB Q96GD4 4/20 0.40
SRC P12931 3/20 0.40
ABL1 P00519 3/20 0.40
LCK P06239 3/20 0.40
CSF1R P07333 3/20 0.40
RET P07949 3/20 0.40
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
FLT3 P36888 3/20 0.40
PTK2 Q05397 3/20 0.40
GSK3B P49841 3/20 0.40
NTRK3 Q16288 3/20 0.40
NTRK2 Q16620 3/20 0.40
PLK4 O00444 2/20 0.40
KIT P10721 2/20 0.40

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
SCHEMBL10312126 0.89 IDH2 (0.47) IDH2NFE2L2HRH4IGF1RMELK
SCHEMBL10312187 0.87 AURKA (0.42) NFE2L2NTRK1AURKAAURKBSRC
SCHEMBL10312192 0.87 IGF1R (0.46) IDH2NTRK1HRH4IGF1R
SCHEMBL10312122 0.85 AURKA (0.42) NTRK1AURKAAURKBSRCABL1
SCHEMBL10312224 0.81 NTRK1 (0.50) DHODHNTRK1AURKAAURKBSRC
SCHEMBL10312079 0.81 HRH4 (0.52) IDH2DHODHNTRK1AURKAAURKB
SCHEMBL10312077 0.80 DHODH (0.46) IDH2DHODHNFE2L2NTRK1AURKA
SCHEMBL10312088 0.80 IDH2 (0.53) IDH2DHODHNTRK1AURKAAURKB
SCHEMBL10312081 0.80 HRH4 (0.62) IDH2NTRK1AURKAAURKBSRC
SCHEMBL10312078 0.79 DHODH (0.41) IDH2DHODHNFE2L2NTRK1AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440055-B1 STYRYL-TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY LLC (US) 2015-03-11 EP disclosed
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 745/4885DHODH 4236/4885NFE2L2 1235/4885

“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.