SCHEMBL10312133

SCHEMBL10312133

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(C(F)(F)F)c3)nc(NCc3ccncc3)n2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.39
VNN1 O95497 1/20 0.38
SLC2A1 P11166 1/20 0.38
KDR P35968 5/20 0.38
CRHR1 P34998 2/20 0.37
FLT1 P17948 2/20 0.37
ABL1 P00519 2/20 0.37
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FLT4 P35916 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 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
SCHEMBL10312129 0.91 KDM4E (0.41) VNN1SLC2A1KDRIDH2IGF1R
SCHEMBL10312224 0.90 NTRK1 (0.50) NTRK1VNN1SLC2A1KDRCRHR1
SCHEMBL10312205 0.89 KCNH3 (0.40) NTRK1SLC2A1KDRFLT1ABL1
SCHEMBL10312165 0.87 NPSR1 (0.42) NTRK1KDRFLT1ABL1CSF1R
SCHEMBL10312096 0.86 MELK (0.34) KCNH3IDH2L3MBTL1HRH4NFE2L2
SCHEMBL10312191 0.85 IGF1R (0.51) NTRK1KDRFLT1ABL1CSF1R
SCHEMBL10312126 0.82 IDH2 (0.47) IDH2HRH4IGF1RNFE2L2
SCHEMBL10312151 0.82 HRH4 (0.49) NTRK1KDRFLT1ABL1CSF1R
SCHEMBL10312229 0.80 KDM4E (0.45) NTRK1VNN1SLC2A1KDRFLT1
SCHEMBL10312098 0.80 IDH2 (0.37) ABL1IDH2L3MBTL1HRH4NFE2L2

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 NTRK1 482/4885VNN1 4455/4885SLC2A1 2894/4885

“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.