SCHEMBL3789209

SCHEMBL3789209

CC(=O)c1cccc(-c2ccc(N)cc2)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.39
KIT P10721 2/20 0.39
FLT3 P36888 2/20 0.39
BCAT2 O15382 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PARP1 P09874 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HNF4A P41235 1/20 0.37
BRD4 O60885 1/20 0.36
CHEK1 O14757 2/20 0.36
MYC P01106 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
PDK2 Q15119 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
SCHEMBL3792131 0.87 BCAT2 (0.53) BCAT2MAPTHNF4AMYCMEN1
SCHEMBL3803198 0.85 BCAT2 (0.50) KDRBCAT2ALOX5APFEN1MAPT
SCHEMBL17744805 0.84 CASP7 (0.53) KDRKITFLT3BCAT2MAPT
SCHEMBL3791160 0.84 BCAT2 (0.53) KDRKITFLT3BCAT2PARP1
SCHEMBL3785680 0.83 MCL1 (0.44) ALOX5APFEN1PARP1MAPTBRD4
SCHEMBL3498784 0.78 G6PD (0.46) NPC1MAPTRAB9ABRD4MYC
SCHEMBL1512152 0.77 BCAT2 (0.59) KDRFLT3BCAT2PARP1MAPT
SCHEMBL17744826 0.77 G6PD (0.59) BCAT2MAPTHNF4AMYCMEN1
SCHEMBL3784979 0.76 BRD4 (0.51) KDRMAPTBRD4MYCMEN1
SCHEMBL3784822 0.76 BACE1 (0.45) MAPTMEN1KMT2ASMN1; SMN2SLC6A4

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
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KDR 1921/4885KIT 605/4885FLT3 1004/4885

“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.