SCHEMBL2995941

SCHEMBL2995941

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.36
PCSK9 Q8NBP7 3/20 0.36
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.33
IGF1R P08069 1/20 0.33
AGTR1 P30556 1/20 0.32
TP53 P04637 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PTGS2 P35354 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2991313 0.92 PCSK9 (0.34) PTGDR2PCSK9METAXLALDH1A1
SCHEMBL2989018 0.92 PCSK9 (0.34) PTGDR2PCSK9METAXLIGF1R
SCHEMBL2992419 0.89 PCSK9 (0.35) PTGDR2PCSK9CYP3A4ALDH1A1IGF1R
SCHEMBL1749798 0.88 PTGDR2 (0.39) PTGDR2PCSK9METAXLIGF1R
SCHEMBL2994855 0.88 PTGDR2 (0.36) PTGDR2PCSK9ALDH1A1IGF1RTP53
SCHEMBL3000511 0.88 LMNA (0.37) PTGDR2PCSK9METAXLALDH1A1
SCHEMBL2990418 0.87 MCHR1 (0.34) PTGDR2PCSK9METAXLIGF1R
SCHEMBL2984632 0.87 PTGDR2 (0.34) PTGDR2PCSK9IGF1RPIM1PIM2
SCHEMBL2996394 0.87 PTGDR2 (0.34) PTGDR2PCSK9ALDH1A1IGF1RTP53
SCHEMBL2996065 0.86 KDM4E (0.33) PTGDR2PCSK9METAXLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1799691-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-06-27 EP disclosed
WO-2006037875-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-04-13 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 (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 1281/4885PCSK9 3685/4885MET 1028/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 PTGDR2 1281/4885PCSK9 3685/4885MET 1028/4885

“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.