SCHEMBL4186281

SCHEMBL4186281

Cc1ccccc1-c1cc2cnc(NN3CC4CCCC4C3)nc2n(CC(=O)N2CCCC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.45
EGFR P00533 1/20 0.39
GRIN2B Q13224 1/20 0.39
SRC P12931 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PAK1 Q13153 1/20 0.38

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
SCHEMBL4182490 0.90 TNK2 (0.45) TNK2SRCPAK1
SCHEMBL4192971 0.87 ALDH1A1 (0.44) TNK2GRIN2BKDM4EHPGDTSHR
SCHEMBL4176364 0.87 TNK2 (0.43) TNK2GRIN2BKDM4EHPGDHSD17B10
SCHEMBL13928696 0.87 TNK2 (0.44) TNK2SRCPAK1
SCHEMBL4183909 0.87 TNK2 (0.43) TNK2SRCKDM4EPAK1
SCHEMBL4169005 0.86 PAK1 (0.49) TNK2PAK1
SCHEMBL4173726 0.86 TNK2 (0.44) TNK2SRCPAK1
SCHEMBL4179420 0.86 TNK2 (0.46) TNK2SRCPAK1
SCHEMBL4169015 0.86 TNK2 (0.46) TNK2SRCPAK1
SCHEMBL4168908 0.85 PAK1 (0.50) TNK2PAK1

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 TNK2 994/4885EGFR 4356/4885GRIN2B 2516/4885

“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.