SCHEMBL253953

SCHEMBL253953

O=C1Cc2c(F)cc(Cl)cc2N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.52
CMA1 P23946 3/20 0.52
GSK3B P49841 8/20 0.42
CCNB2 O95067 4/20 0.42
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNB3 Q8WWL7 4/20 0.42
TDP2 O95551 1/20 0.40
CDK5 Q00535 5/20 0.39
CDK5R1 Q15078 5/20 0.39
PGR P06401 3/20 0.39
GSK3A P49840 4/20 0.39
CES1 P23141 1/20 0.37
LMNA P02545 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL9834315 0.82 GSK3B (0.45) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL31218442 0.79 TDP2 (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL21979984 0.79 TDP2 (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL20588667 0.78 CMA1 (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL29502199 0.78 CMA1 (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL31414332 0.77 AHR (0.49) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL8545481 0.77 AHR (0.49) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL5756908 0.74 AHR (0.35) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL152272 0.73 GSK3B (0.50) AHRCMA1GSK3BCCNB2CDK1
SCHEMBL21552373 0.73 PGR (0.45) AHRCMA1PGR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011067185-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES BARTKOVITZ DAVID JOSEPH 2011-06-02 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-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X AHR 2051/4885CMA1 4582/4885GSK3B 4231/4885

“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.