SCHEMBL10312137

SCHEMBL10312137

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(Cl)c3)nc(NC(C)c3ccncc3)n2)n[nH]1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 10/20 0.36
NTRK1 P04629 4/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
AURKA O14965 3/20 0.32
HRH4 Q9H3N8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 3/20 0.30
MAPK3 P27361 1/20 0.30

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
SCHEMBL10312102 0.90 GRK6 (0.39) GRK6NTRK1AURKA
SCHEMBL10312197 0.90 NTRK1 (0.42) GRK6NTRK1AURKA
SCHEMBL10312096 0.87 MELK (0.34) GRK6AURKAHRH4
SCHEMBL10312132 0.86 NTRK1 (0.47) NTRK1
SCHEMBL10312165 0.85 NPSR1 (0.42) GRK6NTRK1MEN1CYP1A2CYP3A4
SCHEMBL10312153 0.79 PKM (0.40) MEN1KMT2AAURKANPSR1
SCHEMBL10312114 0.79 HRH4 (0.34) NTRK1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10312115 0.79 HRH4 (0.47) NTRK1AURKAHRH4NPSR1
SCHEMBL10312218 0.79 NTRK1 (0.44) GRK6NTRK1AURKA
SCHEMBL10312078 0.77 DHODH (0.41) GRK6NTRK1AURKAHRH4

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 GRK6 101/4885NTRK1 482/4885MEN1 4391/4885

“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.