SCHEMBL4186590

SCHEMBL4186590

O=c1c(-c2ccccc2F)cc2cnc(NN3CC4CCCC4C3)nc2n1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 17/20 0.48
CDK2 P24941 12/20 0.48
CDK4 P11802 11/20 0.48
CCNA2 P20248 4/20 0.48
CCND2 P30279 6/20 0.46
CCND3 P30281 6/20 0.46
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
CCNE1 P24864 8/20 0.43
CDK6 Q00534 8/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
PIK3CA P42336 1/20 0.43
CCNA1 P78396 1/20 0.42
BTK Q06187 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
SCHEMBL4193017 0.97 CCND1 (0.44) CCND1CDK2CDK4CCNA2CCND2
SCHEMBL4183495 0.87 WEE1 (0.52) FGFR1FGFR2FGFR4FGFR3
SCHEMBL4187972 0.86 LCK (0.49) CCND1CDK2CDK4CCNA2CCND2
SCHEMBL13928690 0.86 CDK2 (0.46) CCND1CDK2CDK4CCNA2CCND2
SCHEMBL4190418 0.85 CCND1 (0.43) CCND1CDK2CDK4CCNA2CCND2
SCHEMBL4178516 0.84 TNK2 (0.48) CCND1CDK4CCND2CCND3BTK
SCHEMBL4186016 0.82 MAPK14 (0.56) CCND1CDK2CDK4CCNA2CCND2
SCHEMBL4178376 0.81 TNK2 (0.43) BTK
SCHEMBL4175970 0.79 MEN1 (0.45) CCND1CDK2CDK4CCNA2CCND2
SCHEMBL4176146 0.79 MAPK14 (0.36) BTK

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 8 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
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 CCND1 627/4885CDK2 1563/4885CDK4 1224/4885

“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.