SCHEMBL2990418

SCHEMBL2990418

COc1cc2c(nc1OC)c(-c1cc3c(CNC4CC4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.34
GSK3B P49841 1/20 0.32
SCN9A Q15858 1/20 0.32
IGF1R P08069 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
EED O75530 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
ACVR1 Q04771 1/20 0.30
RAB9A P51151 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MET P08581 1/20 0.30
AXL P30530 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
SCHEMBL2996528 0.96 CYP3A4 (0.34) MCHR1GSK3BSCN9ATP53ACVR1
SCHEMBL2991591 0.95 PTGDR2 (0.33) MCHR1SCN9APTGDR2TP53PKM
SCHEMBL2993241 0.93 CD274 (0.32) MCHR1GSK3BSCN9APTGDR2TP53
SCHEMBL5540138 0.92 NAMPT (0.36) MCHR1SUV39H2
SCHEMBL2996055 0.91 PTGDR2 (0.33) SCN9APTGDR2PKM
SCHEMBL2987048 0.90 BRD4 (0.35) SUV39H2
SCHEMBL1748813 0.90 IGF1R (0.37) MCHR1GSK3BSCN9AIGF1RPCSK9
SCHEMBL2993803 0.88 NAMPT (0.34) SCN9ASUV39H2
SCHEMBL2995941 0.87 PTGDR2 (0.36) IGF1RPCSK9PTGDR2TP53PIM1
SCHEMBL2991313 0.87 PCSK9 (0.34) IGF1RPCSK9PTGDR2TP53KDM4E

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 MCHR1 1957/4885GSK3B 438/4885SCN9A 2482/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 MCHR1 1957/4885GSK3B 438/4885SCN9A 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.