SCHEMBL4177971

SCHEMBL4177971

COc1ccc2c(Cl)cc(-c3cnn(CCC(C)C)c3)nc2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
SYK P43405 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NAMPT P43490 2/20 0.34
PGK1 P00558 1/20 0.34
FGFR3 P22607 5/20 0.33
FGFR1 P11362 4/20 0.33
FGFR2 P21802 4/20 0.33
JAK2 O60674 2/20 0.33
S1PR1 P21453 1/20 0.33
PLAU P00749 1/20 0.33
FGFR4 P22455 1/20 0.33
KCNH2 Q12809 2/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL4177973 0.90 FGFR1 (0.41) PRMT5WDR77SYKKDM5BPGK1
SCHEMBL4189829 0.89 FGFR3 (0.39) PRMT5WDR77SYKKDM4EALDH1A1
SCHEMBL4191726 0.88 PRMT5 (0.39) PRMT5WDR77SYKKDM4EALDH1A1
SCHEMBL4185266 0.86 KDM4E (0.41) KDM4EALDH1A1MAPTPGK1FGFR3
SCHEMBL13929793 0.83 PLAU (0.45) MAPTPGK1FGFR3FGFR1FGFR2
SCHEMBL4182669 0.83 PGK1 (0.51) PGK1
SCHEMBL4177980 0.83 S1PR1 (0.48) SYKKDM4EALDH1A1MAPTFGFR3
SCHEMBL4183203 0.78 FGFR1 (0.41) PRMT5WDR77SYKFGFR3FGFR1
SCHEMBL4178307 0.76 FGFR1 (0.39) PRMT5WDR77SYKKDM4EALDH1A1
SCHEMBL4182844 0.74 KDM4E (0.43) KDM4EALDH1A1MAPTFGFR3FGFR1

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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I IDENIX PHARMACEUTICALS, INC. (US) 2009-02-19 US disclosed
WO-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO 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-20090047244-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS I SERPINB1, SPINT2, PRSS1 PRMT5 2501/4885WDR77 4141/4885SYK 3640/4885

“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.