SCHEMBL9936453

SCHEMBL9936453

COC(=O)c1c[nH]c2c(C#N)cccc12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.65
CREBBP Q92793 1/20 0.54
MAP2K1 Q02750 1/20 0.50
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
BRPF1 P55201 1/20 0.43
DYRK1A Q13627 3/20 0.42
AXL P30530 1/20 0.41

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
SCHEMBL6329279 0.86 NR4A2 (0.48) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL5409892 0.83 ALDH1A1 (0.54) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL22462638 0.81 MAPT (0.65) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2036909 0.79 NR4A2 (1.00) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2040417 0.78 NR4A2 (1.00) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL17113293 0.78 NR4A2 (0.70) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2034149 0.78 NR4A2 (0.70) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL9936554 0.78 NR4A2 (0.70) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2647337 0.77 ALDH1A1 (0.47) NR4A2CREBBPKDM4EALDH1A1HPGD
SCHEMBL15388930 0.77 NR4A2 (0.63) NR4A2CREBBPMAP2K1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885CREBBP 3960/4885MAP2K1 958/4885

“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.