SCHEMBL4181176

SCHEMBL4181176

Cn1c(=O)c(-c2ccc([N+](=O)[O-])cc2)cc2cnc(NN3CC4CCCC4C3)nc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.42
ABL1 P00519 1/20 0.42
RIPK2 O43353 7/20 0.40
ACVR1 Q04771 4/20 0.40
LCK P06239 1/20 0.40
MAPK14 Q16539 1/20 0.40
EGFR P00533 2/20 0.39
SRC P12931 2/20 0.39
NOD2 Q9HC29 4/20 0.38
WEE1 P30291 1/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
STK26 Q9P289 1/20 0.37
STK24 Q9Y6E0 1/20 0.37

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
SCHEMBL4180313 0.88 FGFR1 (0.47) FGFR1ABL1RIPK2ACVR1LCK
SCHEMBL4192757 0.87 RIPK2 (0.53) FGFR1ABL1RIPK2ACVR1LCK
SCHEMBL4178720 0.85 FGFR1 (0.47) FGFR1ABL1RIPK2ACVR1LCK
SCHEMBL4180903 0.85 MAPK14 (0.50) MAPK14
SCHEMBL4182714 0.81 FGFR1 (0.48) FGFR1ABL1LCKMAPK14EGFR
SCHEMBL4176329 0.81 FGFR1 (0.47) FGFR1ABL1RIPK2LCKMAPK14
SCHEMBL4180883 0.79 FGFR1 (0.51) FGFR1ABL1RIPK2EGFRSRC
SCHEMBL4173564 0.79 MAPK14 (0.64) FGFR1ABL1RIPK2ACVR1LCK
SCHEMBL4186477 0.78 RIPK2 (0.54) FGFR1ABL1RIPK2ACVR1LCK
SCHEMBL13928692 0.77 WEE1 (0.51) FGFR1ABL1LCKMAPK14EGFR

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 3 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

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 2037/4885ABL1 3754/4885RIPK2 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.