SCHEMBL2536758

SCHEMBL2536758

COC1(OC)NC(=O)Cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.44
PDK2 Q15119 1/20 0.44
TDP2 O95551 5/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MAP3K14 Q99558 1/20 0.42
HTR2A P28223 2/20 0.38
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
EIF2AK2 P19525 1/20 0.35
DRD2 P14416 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
SCHEMBL1953250 0.78 HTR2A (0.48) AHRPDK2TDP2CASP3CASP7
SCHEMBL1951145 0.74 HRH3 (0.48) AHRPDK2TDP2CASP3CASP7
SCHEMBL25267820 0.72 SIGMAR1 (0.37) ALDH1A1
SCHEMBL30817706 0.70 PDE7A (0.54) AHRPDK2TDP2CASP3CASP7
SCHEMBL11640043 0.70 PDE7A (0.54) AHRPDK2TDP2CASP3CASP7
SCHEMBL12891787 0.70 HRH3 (0.57) AHRPDK2TDP2CASP3CASP7
SCHEMBL31707305 0.69 MEN1 (0.42) HTR2AHTR2C
SCHEMBL829355 0.69 MEN1 (0.42) HTR2AHTR2C
SCHEMBL13880029 0.69 PDE7A (0.50) AHRPDK2TDP2CASP3CASP7
SCHEMBL1953691 0.69 HTR2A (0.47) AHRPDK2TDP2CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044067-B2 Isoquinolines as IGF-1R inhibitors ANALYTECON S.A. (CH) 2011-10-25 US disclosed
US-20090099229-A1 Isoquinolines as IGF-1R Inhibitors ANALYTECON S.A (CH) 2009-04-16 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-20090099229-A1 Isoquinolines as IGF-1R Inhibitors IGF1R, IGFBP1, IGF2BP1 AHR 1592/4885PDK2 628/4885TDP2 4018/4885

“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.