SCHEMBL4178376

SCHEMBL4178376

O=c1c(-c2ccccc2F)cc2cnc(NN3CC4CCCC4C3)nc2n1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.43
USP2 O75604 10/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP1A2 P05177 9/20 0.42
CASP1 P29466 8/20 0.42
CASP7 P55210 8/20 0.42
HIF1A Q16665 8/20 0.42
CYP3A4 P08684 7/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 6/20 0.42
CYP2C9 P11712 5/20 0.42
TSHR P16473 4/20 0.42
SIK1 P57059 2/20 0.42
SIK2 Q9H0K1 2/20 0.42
SIK3 Q9Y2K2 2/20 0.42
GLA P06280 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
GAK O14976 1/20 0.42

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
SCHEMBL4187838 0.92 TNK2 (0.50) TNK2USP2MEN1KMT2ASIK1
SCHEMBL4173640 0.92 TNK2 (0.44) TNK2USP2MEN1KMT2ACYP1A2
SCHEMBL4178516 0.87 TNK2 (0.48) TNK2SIK1SIK2SIK3GAK
SCHEMBL4186207 0.86 TNK2 (0.44) TNK2SIK1SIK2SIK3ABL1
SCHEMBL4180893 0.85 TNK2 (0.53) TNK2SIK1SIK2SIK3ABL1
SCHEMBL4173629 0.84 TNK2 (0.46) TNK2SIK1SIK2SIK3ABL1
SCHEMBL4183495 0.83 WEE1 (0.52) TNK2ABL1SRC
SCHEMBL4193017 0.82 CCND1 (0.44) TNK2CYP1A2CASP1CASP7CYP3A4
SCHEMBL4183089 0.82 TNK2 (0.50) TNK2SIK1SIK2SIK3ABL1
SCHEMBL4178712 0.82 TNK2 (0.43) TNK2SIK1SIK2SIK3PAK1

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
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
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 TNK2 994/4885USP2 4493/4885MEN1 3606/4885

“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.