SCHEMBL3000511

SCHEMBL3000511

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
ALDH3A1 P30838 2/20 0.34
PKM P14618 1/20 0.34
IGF1R P08069 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
BRD4 O60885 1/20 0.31
SCN9A Q15858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL2993214 0.90 PTGDR2 (0.36) LMNAPTGDR2ALDH3A1PKMPIM1
SCHEMBL2993349 0.90 PTGDR2 (0.36) LMNAPTGDR2ALDH3A1PKMPIM1
SCHEMBL2990271 0.90 PTGDR2 (0.36) LMNAPTGDR2ALDH3A1PKMPIM1
SCHEMBL2989018 0.90 PCSK9 (0.34) LMNAPTGDR2ALDH3A1IGF1RPCSK9
SCHEMBL2992606 0.89 PTGDR2 (0.35) LMNAPTGDR2ALDH3A1PKMPIM1
SCHEMBL2996065 0.89 KDM4E (0.33) LMNAPTGDR2ALDH3A1IGF1RPCSK9
SCHEMBL2990286 0.89 PTGDR2 (0.39) LMNAPTGDR2IGF1RPCSK9PIM1
SCHEMBL1748718 0.88 PTGDR2 (0.39) LMNAPTGDR2ALDH3A1PKMIGF1R
SCHEMBL2995941 0.88 PTGDR2 (0.36) LMNAPTGDR2IGF1RPCSK9PIM1
SCHEMBL2991313 0.88 PCSK9 (0.34) LMNAPTGDR2IGF1RPCSK9PIM1

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 8 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-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-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-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
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 LMNA 3052/4885PTGDR2 1281/4885ALDH3A1 3116/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 LMNA 3052/4885PTGDR2 1281/4885ALDH3A1 3116/4885

“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.