SCHEMBL10312136

SCHEMBL10312136

C/C=C/c1cc(Nc2nc(/C=C/c3cccc(C)c3)nc(Nc3ccc(P(C)(C)=O)cc3)n2)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ABL1 P00519 6/20 0.31
SRC P12931 6/20 0.31
CSF1R P07333 3/20 0.31
KIT P10721 3/20 0.31
PDGFRA P16234 3/20 0.31
AURKA O14965 3/20 0.31
FLT1 P17948 2/20 0.31
PLK4 O00444 2/20 0.31
NTRK1 P04629 2/20 0.31
LCK P06239 2/20 0.31
RET P07949 2/20 0.31
FGFR1 P11362 2/20 0.31
TYK2 P29597 2/20 0.31
KDR P35968 2/20 0.31

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
SCHEMBL10312100 0.90 AURKA (0.32) CA9ABL1SRCCSF1RKIT
SCHEMBL10312098 0.88 IDH2 (0.37) ABL1SRCHRH4
SCHEMBL10312194 0.81 AURKA (0.41) ABL1SRCCSF1RKITPDGFRA
SCHEMBL10312219 0.81 AURKA (0.41) ABL1SRCCSF1RKITPDGFRA
SCHEMBL10312077 0.79 DHODH (0.46) ABL1SRCCSF1RKITPDGFRA
SCHEMBL10312087 0.76 IGF1R (0.43) SRCRET
SCHEMBL10312162 0.76 IGF1R (0.45) SRC
SCHEMBL10312178 0.74 CCNA2 (0.45) SRC
SCHEMBL10312134 0.70 KMT2A (0.37) ABL1SRCCSF1RKITPDGFRA
SCHEMBL10312114 0.69 HRH4 (0.34) ABL1SRCCSF1RKITPDGFRA

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 PTGS2 1457/4885PTGS1 1975/4885CA12 4504/4885

“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.