SCHEMBL223361

SCHEMBL223361

O=C1Cc2ccc(Cl)c(F)c2N1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.58
CMA1 P23946 2/20 0.44
TDP2 O95551 9/20 0.44
GRIA1 P42261 2/20 0.39
CACNG8 Q8WXS5 2/20 0.39
PDK2 Q15119 1/20 0.37
GRM5 P41594 1/20 0.37
EIF2AK2 P19525 1/20 0.36
CACNG2 Q9Y698 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
MAP3K14 Q99558 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
SCHEMBL16320760 0.81 AHR (0.61) AHRCMA1TDP2GRIA1CACNG8
SCHEMBL26666458 0.81 AHR (0.47) AHRCMA1TDP2PDK2GRM5
SCHEMBL25248436 0.78 AHR (0.44) AHRCMA1TDP2PDK2EIF2AK2
SCHEMBL31116942 0.78 AHR (0.53) AHRCMA1TDP2GRIA1CACNG8
SCHEMBL18289475 0.77 AHR (0.59) AHRCMA1TDP2PDK2EIF2AK2
SCHEMBL10951683 0.74 AHR (0.45) AHRCMA1TDP2GRIA1CACNG8
SCHEMBL1162926 0.73 AHR (1.00) AHRCMA1TDP2GRIA1CACNG8
SCHEMBL18554774 0.70 AHR (0.53) AHRCMA1TDP2PDK2GRM5
SCHEMBL19629850 0.70 AHR (0.44) AHRCMA1TDP2PDK2EIF2AK2
SCHEMBL9837197 0.70 AHR (0.57) AHRCMA1

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
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-8217044-B2 Spiroindolinone pyrrolidines HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
US-8088815-B2 Spiroindolinone pyrrolidines HOFFMAN-LA ROCHE INC. (US) 2012-01-03 US disclosed
WO-2011134925-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO disclosed
US-20110269809-A1 SPIROINDOLINONE PYRROLIDINES HOFFMANN-LA ROCHE INC. 2011-11-03 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 (2 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-20110269809-A1 SPIROINDOLINONE PYRROLIDINES RB1, KRAS, PKD1 AHR 1686/4885CMA1 4506/4885TDP2 2134/4885
US-20110130398-A1 SPIROINDOLINONE PYRROLIDINES RPS4Y1, RB1, RPS4X AHR 2051/4885CMA1 4582/4885TDP2 2019/4885

“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.