SCHEMBL2993349

SCHEMBL2993349

COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCCCl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.34
ALDH3A1 P30838 1/20 0.32
PKM P14618 1/20 0.32
GSK3B P49841 2/20 0.32
QPCT Q16769 2/20 0.32
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
BRD4 O60885 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
SCHEMBL2993214 0.96 PTGDR2 (0.36) PTGDR2LMNATP53ALDH3A1PKM
SCHEMBL2992606 0.95 PTGDR2 (0.35) PTGDR2LMNATP53ALDH3A1PKM
SCHEMBL2990271 0.92 PTGDR2 (0.36) PTGDR2LMNATP53ALDH3A1PKM
SCHEMBL2985925 0.92 PTGDR2 (0.34) PTGDR2LMNATP53ALDH3A1PKM
SCHEMBL2988515 0.91 GSK3B (0.35) PTGDR2LMNATP53GSK3BQPCT
SCHEMBL2991873 0.90 TP53 (0.36) PTGDR2LMNATP53ALDH3A1PKM
SCHEMBL3000511 0.90 LMNA (0.37) PTGDR2LMNATP53ALDH3A1PKM
SCHEMBL2994047 0.90 PTGDR2 (0.34) PTGDR2LMNATP53ALDH3A1PKM
SCHEMBL2997504 0.89 HTR6 (0.37) PTGDR2LMNATP53
SCHEMBL2994727 0.89 PTGDR2 (0.42) PTGDR2LMNA

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 6 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
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 1281/4885LMNA 3052/4885TP53 737/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 PTGDR2 1281/4885LMNA 3052/4885TP53 737/4885

“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.