SCHEMBL10312072

SCHEMBL10312072

Cc1cc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NCC(O)CN3CCOCC3)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 4/20 0.41
AURKA O14965 5/20 0.39
AURKB Q96GD4 3/20 0.38
JAK2 O60674 7/20 0.37
JAK3 P52333 7/20 0.37
NTRK1 P04629 3/20 0.37
PLK4 O00444 2/20 0.37
ABL1 P00519 2/20 0.37
LCK P06239 2/20 0.37
CSF1R P07333 2/20 0.37
RET P07949 2/20 0.37
KIT P10721 2/20 0.37
FGFR1 P11362 2/20 0.37
SRC P12931 2/20 0.37
PDGFRA P16234 2/20 0.37
TYK2 P29597 2/20 0.37
KDR P35968 2/20 0.37
FLT3 P36888 2/20 0.37
PTK2 Q05397 2/20 0.37
MAP4K5 Q9Y4K4 2/20 0.37

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
SCHEMBL10312090 0.91 IDH2 (0.39) IDH2AURKAJAK3BTKALDH1A1
SCHEMBL10312188 0.90 JAK2 (0.41) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL16556861 0.89 IGF1R (0.42) IDH2NTRK1PLK4IGF1R
SCHEMBL10312193 0.89 AURKA (0.41) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL10312176 0.86 MELK (0.46) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL10312024 0.83 IDH2 (0.39) IDH2JAK2JAK3PLK4LCK
SCHEMBL10312134 0.82 KMT2A (0.37) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL10312200 0.82 GRK6 (0.35) AURKAAURKBJAK2JAK3NTRK1
SCHEMBL10312075 0.81 USP2 (0.50) IDH2AURKAAURKBJAK2JAK3
SCHEMBL10312155 0.81 IGF1R (0.43) NTRK1IGF1R

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 745/4885AURKA 793/4885AURKB 584/4885

“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.