SCHEMBL2991591

SCHEMBL2991591

COc1cc2c(nc1OC)c(-c1cc3c(CNC4CCC(NC(=O)O)CC4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.33
MCHR1 Q99705 1/20 0.32
SCN9A Q15858 1/20 0.32
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
PDE4B Q07343 2/20 0.30
PDE4D Q08499 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL2990418 0.95 MCHR1 (0.34) PTGDR2MCHR1SCN9ATP53RAB9A
SCHEMBL5540138 0.93 NAMPT (0.36) MCHR1
SCHEMBL2993241 0.92 CD274 (0.32) PTGDR2MCHR1SCN9ATP53RAB9A
SCHEMBL2996528 0.91 CYP3A4 (0.34) MCHR1SCN9ATP53RAB9A
SCHEMBL2996055 0.91 PTGDR2 (0.33) PTGDR2SCN9APKMMEN1KMT2A
SCHEMBL2987048 0.88 BRD4 (0.35)
SCHEMBL2993803 0.87 NAMPT (0.34) SCN9AMEN1KMT2A
SCHEMBL2994855 0.87 PTGDR2 (0.36) PTGDR2SCN9ATP53
SCHEMBL2989657 0.86 PTGDR2 (0.32) PTGDR2SCN9ATP53RAB9APKM
SCHEMBL1748813 0.85 IGF1R (0.37) PTGDR2MCHR1SCN9ATP53RAB9A

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 1281/4885MCHR1 1957/4885SCN9A 2482/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 PTGDR2 1281/4885MCHR1 1957/4885SCN9A 2482/4885

“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.