SCHEMBL4187972

SCHEMBL4187972

O=c1c(-c2ccccc2Cl)cc2cnc(NN3CC4CCCC4C3)nc2n1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNK2 Q07912 5/20 0.47
CCND1 P24385 9/20 0.44
CDK2 P24941 8/20 0.44
CDK4 P11802 5/20 0.44
CCNA2 P20248 2/20 0.44
ABL1 P00519 1/20 0.44
PAK1 Q13153 1/20 0.44
CCNE1 P24864 6/20 0.43
CDK6 Q00534 6/20 0.43
CCND3 P30281 3/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
SIK1 P57059 1/20 0.43
SIK2 Q9H0K1 1/20 0.43
SIK3 Q9Y2K2 1/20 0.43
CCND2 P30279 2/20 0.42
FGFR1 P11362 2/20 0.42
RIPK2 O43353 1/20 0.41

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
SCHEMBL4193017 0.89 CCND1 (0.44) MAPK14TNK2CCND1CDK2CDK4
SCHEMBL13928690 0.89 CDK2 (0.46) TNK2CCND1CDK2CDK4CCNA2
SCHEMBL4190418 0.88 CCND1 (0.43) LCKMAPK14CCND1CDK2CDK4
SCHEMBL4173564 0.88 MAPK14 (0.64) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4186590 0.86 CCND1 (0.48) CCND1CDK2CDK4CCNA2CCNE1
SCHEMBL4175970 0.86 MEN1 (0.45) CCND1CDK2CDK4CCNA2CCNE1
SCHEMBL4180893 0.84 TNK2 (0.53) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4179363 0.84 MAPK14 (0.49) MAPK14CCND1CDK2CDK4CCNA2
SCHEMBL4183075 0.84 TNK2 (0.52) LCKMAPK14TNK2ABL1PAK1
SCHEMBL4187838 0.82 TNK2 (0.50) LCKMAPK14TNK2ABL1PAK1

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 LCK 944/4885MAPK14 1323/4885TNK2 994/4885

“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.