SCHEMBL4173720

SCHEMBL4173720

Cc1ccccc1-c1cc2cnc(NN3CC4CCCC4C3)nc2n(Cc2cccc(OC(F)(F)F)c2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.42
CYP3A4 P08684 5/20 0.39
CYP2C9 P11712 3/20 0.39
USP2 O75604 3/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP2D6 P10635 2/20 0.39
KCNN4 O15554 2/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 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
SCHEMBL4180889 0.91 TNK2 (0.45) TNK2RIPK2ACVR1NOD2FGFR2
SCHEMBL13928659 0.89 TNK2 (0.41) TNK2RIPK2ACVR1NOD2FGFR2
SCHEMBL4173629 0.88 TNK2 (0.46) TNK2RIPK2ACVR1NOD2FGFR1
SCHEMBL4178712 0.83 TNK2 (0.43) TNK2FGFR2
SCHEMBL4183783 0.81 TNK2 (0.47) TNK2
SCHEMBL4168908 0.80 PAK1 (0.50) TNK2
SCHEMBL4180916 0.80 TNK2 (0.49) TNK2
SCHEMBL4178386 0.80 PAK1 (0.50) TNK2CYP3A4TSHRCYP1A2CLK4
SCHEMBL4169005 0.80 PAK1 (0.49) TNK2RIPK2ACVR1NOD2
SCHEMBL4182490 0.80 TNK2 (0.45) TNK2

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 4 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
EP-1846403-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-10-24 EP claimed
WO-2006082492-A1 AZABICYCLO DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO claimed
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 TNK2 994/4885CYP3A4 420/4885CYP2C9 1119/4885

“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.