SCHEMBL2990286

SCHEMBL2990286

COc1cc2c(nc1OC)c(-c1cc3c(C#N)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.33
HSD11B1 P28845 1/20 0.32
SCN9A Q15858 1/20 0.32
CFTR P13569 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
MET P08581 1/20 0.31
AXL P30530 1/20 0.31
LMNA P02545 2/20 0.31
IGF1R P08069 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
PRKDC P78527 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL2990014 0.90 PTGDR2 (0.42) PTGDR2KDM4EPOLBSCN9A
SCHEMBL1748663 0.89 PTGDR2 (0.41) PTGDR2KDM4EPOLBEIF2AK3HSD11B1
SCHEMBL2996065 0.89 KDM4E (0.33) PTGDR2KDM4EPIM1PIM2MET
SCHEMBL3000511 0.89 LMNA (0.37) PTGDR2KDM4ESCN9APIM1PIM2
SCHEMBL2989018 0.86 PCSK9 (0.34) PTGDR2PIM1PIM2METAXL
SCHEMBL2991313 0.86 PCSK9 (0.34) PTGDR2KDM4EPIM1PIM2MET
SCHEMBL2995941 0.86 PTGDR2 (0.36) PTGDR2PIM1PIM2METAXL
SCHEMBL2984672 0.86 GFER (0.33) PTGDR2PIM1PIM2METAXL
SCHEMBL2984670 0.86 GFER (0.33) PTGDR2PIM1PIM2METAXL
SCHEMBL2987057 0.86 PTGDR2 (0.38) PTGDR2KDM4EPOLBPIM1PIM2

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
EP-1799691-B1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-12-21 EP disclosed
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2010-10-07 US disclosed
US-7786114-B2 Bis-azaindole derivatives, preparation and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-08-31 US disclosed
US-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-02-21 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-20080045561-A1 Novel Bis-Azaindole Derivatives, Preparation And Pharmaceutical Use Thereof As Kinase Inhibitors BRSK2, KSR2, CDK2 PTGDR2 1281/4885KDM4E 772/4885POLB 3078/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 PTGDR2 1281/4885KDM4E 772/4885POLB 3078/4885

“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.