SCHEMBL2994855

SCHEMBL2994855

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.36
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
IGF1R P08069 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
MTNR1B P49286 1/20 0.31
CCKAR P32238 1/20 0.31
EED O75530 1/20 0.31
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
F2 P00734 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL2996394 0.92 PTGDR2 (0.34) PTGDR2IGF1RPCSK9MTNR1BEED
SCHEMBL2995941 0.88 PTGDR2 (0.36) PTGDR2PSEN1PSEN2APH1BNCSTN
SCHEMBL2989657 0.88 PTGDR2 (0.32) PTGDR2TP53ALDH1A1F2SMN1; SMN2
SCHEMBL2989317 0.88 CD274 (0.34) PTGDR2CD274PCSK9
SCHEMBL2984632 0.88 PTGDR2 (0.34) PTGDR2IGF1RPCSK9EED
SCHEMBL5532018 0.87 DYRK1A (0.34) PTGDR2
SCHEMBL2991313 0.87 PCSK9 (0.34) PTGDR2IGF1RPCSK9TP53ALDH1A1
SCHEMBL2989018 0.87 PCSK9 (0.34) PTGDR2IGF1RPCSK9EEDTP53
SCHEMBL2991591 0.87 PTGDR2 (0.33) PTGDR2TP53SCN9A
SCHEMBL2996055 0.87 PTGDR2 (0.33) PTGDR2SCN9A

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 3 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

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 1281/4885PSEN1 3379/4885PSEN2 2600/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 PTGDR2 1281/4885PSEN1 3379/4885PSEN2 2600/4885

“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.