SCHEMBL10312129

SCHEMBL10312129

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NCc3cccnc3)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 2/20 0.41
VNN1 O95497 3/20 0.41
ALDH1A1 P00352 4/20 0.38
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
GAA P10253 1/20 0.37
IGF1R P08069 3/20 0.37
KDR P35968 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
FGFR1 P11362 2/20 0.37
SLC2A1 P11166 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL10312133 0.91 NTRK1 (0.39) VNN1IGF1RKDRSLC2A1IDH2
SCHEMBL10312229 0.90 KDM4E (0.45) KDM4EHSD17B10VNN1ALDH1A1DDR1
SCHEMBL10312198 0.89 IGF1R (0.42) KDM4EHSD17B10ALDH1A1GAAIGF1R
SCHEMBL10312153 0.87 PKM (0.40) KDM4EHSD17B10ALDH1A1GAAIGF1R
SCHEMBL10312186 0.85 IGF1R (0.53) KDM4EHSD17B10VNN1IGF1RKDR
SCHEMBL10312224 0.80 NTRK1 (0.50) VNN1DDR1DDR2IGF1RKDR
SCHEMBL10312096 0.80 MELK (0.34) IDH2
SCHEMBL10312126 0.80 IDH2 (0.47) IGF1RLMNAMAPK1IDH2
SCHEMBL10312205 0.79 KCNH3 (0.40) IGF1RKDRFGFR1SLC2A1LMNA
SCHEMBL10312055 0.79 KDM4E (0.44) KDM4EHSD17B10VNN1ALDH1A1DDR1

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 KDM4E 2463/4885HSD17B10 3171/4885VNN1 4455/4885

“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.