SCHEMBL2239931

SCHEMBL2239931

COC(=O)c1cc2c(cc1C)OC(F)(F)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
ALOX5 P09917 2/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 2/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2240754 0.85 BRD4 (0.52) BRD4ALOX5MAPTALDH1A1KDM4E
SCHEMBL2242965 0.83 BRD4 (0.38) BRD4ALOX5MAPTALDH1A1KDM4E
SCHEMBL2243645 0.80 ALDH1A1 (0.39) BRD4ALOX5MAPTALDH1A1KDM4E
SCHEMBL19833923 0.74 MMP12 (0.49) MAPTALDH1A1LMNA
SCHEMBL2241281 0.74 HCAR3 (0.45) BRD4MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL23011988 0.73 BRD4 (0.51) BRD4ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL29706778 0.73 BRD4 (0.51) BRD4ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL2820621 0.72 ALDH1A1 (0.48) BRD4MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL25156270 0.71 MAPK14 (0.43) MAPTSMN1; SMN2LMNA
SCHEMBL24306858 0.71 PKM (0.40) BRD4ALOX5MAPTALDH1A1KDM4E

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-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 BRD4 67/4885ALOX5 3944/4885MAPT 3928/4885

“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.