SCHEMBL4180883

SCHEMBL4180883

COc1cccc(-c2cc3cnc(NN4CC5CCCC5C4)nc3n(C)c2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.51
EGFR P00533 6/20 0.51
RIPK2 O43353 2/20 0.48
SRC P12931 2/20 0.47
FGFR4 P22455 4/20 0.47
FGFR2 P21802 2/20 0.46
FGFR3 P22607 1/20 0.46
ABL1 P00519 1/20 0.46
PIK3CA P42336 2/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
NOD2 Q9HC29 1/20 0.43

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
SCHEMBL4182714 0.88 FGFR1 (0.48) FGFR1EGFRSRCFGFR4FGFR2
SCHEMBL4176329 0.87 FGFR1 (0.47) FGFR1EGFRRIPK2SRCABL1
SCHEMBL4171282 0.87 FGFR1 (0.52) FGFR1EGFRRIPK2SRCFGFR4
SCHEMBL4180313 0.83 FGFR1 (0.47) FGFR1EGFRRIPK2SRCABL1
SCHEMBL4192757 0.82 RIPK2 (0.53) FGFR1EGFRRIPK2SRCFGFR4
SCHEMBL4179272 0.82 MAPK14 (0.48) FGFR1EGFRRIPK2SRCABL1
SCHEMBL4183812 0.81 FGFR1 (0.68) FGFR1EGFRSRCFGFR4FGFR2
SCHEMBL4178720 0.81 FGFR1 (0.47) FGFR1EGFRRIPK2SRCFGFR4
SCHEMBL13951206 0.81 FGFR1 (0.44) FGFR1EGFRRIPK2SRCABL1
SCHEMBL4181014 0.81 WEE1 (0.51) FGFR1EGFRSRCFGFR4FGFR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US claimed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US disclosed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US disclosed
US-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-02-05 US disclosed
EP-1846403-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-24 EP disclosed
WO-2006082492-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 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-20090036472-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS IL1B, TPMT, IL1R1 FGFR1 2037/4885EGFR 4356/4885RIPK2 2333/4885

“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.