SCHEMBL4177980

SCHEMBL4177980

COc1ccc2c(Cl)cc(-c3cnn(CCN4CCOCC4)c3)nc2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
FGFR1 P11362 4/20 0.45
FGFR2 P21802 3/20 0.45
FGFR3 P22607 3/20 0.45
NTRK1 P04629 1/20 0.43
CSF1R P07333 1/20 0.43
NTRK2 Q16620 1/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MAPK1 P28482 1/20 0.41
KDR P35968 2/20 0.41
PDPK1 O15530 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
SYK P43405 1/20 0.41
FGFR4 P22455 1/20 0.40
NRAS P01111 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL4187139 0.89 FGFR1 (0.45) S1PR1FGFR1FGFR2FGFR3NTRK1
SCHEMBL4189829 0.85 FGFR3 (0.39) FGFR1FGFR2FGFR3MAPK1KDR
SCHEMBL4185266 0.83 KDM4E (0.41) FGFR1FGFR2FGFR3CSF1RMAPK1
SCHEMBL4177971 0.83 PRMT5 (0.39) S1PR1FGFR1FGFR2FGFR3JAK2
SCHEMBL13929793 0.82 PLAU (0.45) FGFR1FGFR2FGFR3CSF1RKDR
SCHEMBL4177973 0.81 FGFR1 (0.41) FGFR1FGFR2FGFR3JAK2JAK1
SCHEMBL4182669 0.80 PGK1 (0.51) MAPK1
SCHEMBL4177982 0.78 ACHE (0.40) PDPK1LMNAKDM4EALDH1A1MAPT
SCHEMBL4178307 0.73 FGFR1 (0.39) FGFR1FGFR2FGFR3MAPK1KDR
SCHEMBL298911 0.73 PLAU (0.44) FGFR1FGFR2FGFR3CSF1RKDR

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 S1PR1 1971/4885FGFR1 4085/4885FGFR2 4528/4885

“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.