SCHEMBL1358633

SCHEMBL1358633

COc1nn(C2CCC3(CC2)OCCO3)cc1I

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.30
HCRTR1 O43613 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1359707 0.82 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1358906 0.78 PIK3CA (0.34)
SCHEMBL1359582 0.76 LRRK2 (0.44)
SCHEMBL1359580 0.76 LRRK2 (0.44)
SCHEMBL25565799 0.72
SCHEMBL633502 0.70 MPO (0.48) ALDH1A1
SCHEMBL19988061 0.70 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL138290 0.70 HPGD (0.31) GAAHPGD
SCHEMBL32684090 0.69 CYP2C19 (0.33) GAA
SCHEMBL21835589 0.69 C5AR1 (0.39) ALDH1A1L3MBTL1

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
EP-2569314-B1 FUSED BICYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2016-09-07 EP disclosed
US-20130253197-A1 FUSED BICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-09-26 US disclosed
US-8445510-B2 Fused bicyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-05-21 US disclosed
EP-2569314-A1 FUSED BICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-03-20 EP disclosed
WO-2011143645-A1 FUSED BICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2011-11-17 WO disclosed
US-20110281888-A1 Fused Bicyclic Kinase Inhibitors OSI Pharmaceuticals, LLC 2011-11-17 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-20110281888-A1 Fused Bicyclic Kinase Inhibitors ALK, RET, MET POLB 3321/4885KDM4E 815/4885HCRTR1 4190/4885
US-20130253197-A1 FUSED BICYCLIC KINASE INHIBITORS ALK, RET, MET POLB 3321/4885KDM4E 815/4885HCRTR1 4190/4885

“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.