SCHEMBL2994559

SCHEMBL2994559

COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCCN1CCC(CCO)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.33
PDE5A O76074 2/20 0.32
HTR6 P50406 3/20 0.32
RORC P51449 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 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
SCHEMBL2986214 0.93 TDP1 (0.34) HTR4PTGDR2ALDH1A1TSHR
SCHEMBL2997066 0.92 HTR4 (0.34) HTR4PTGDR2
SCHEMBL2988515 0.90 GSK3B (0.35) PTGDR2ALDH1A1TSHRKCNH2
SCHEMBL2993561 0.88 PTGDR2 (0.32) HTR4HTR6PTGDR2ADRA1A
SCHEMBL2986343 0.88 HTR6 (0.34) HTR6PTGDR2CYP2D6KMT2A
SCHEMBL1748699 0.88 TP53 (0.36) HTR4HTR6PTGDR2HTR2AHTR2C
SCHEMBL2993349 0.86 PTGDR2 (0.36) PTGDR2
SCHEMBL2997504 0.86 HTR6 (0.37) PDE5AHTR6PTGDR2ALDH1A1TSHR
SCHEMBL2992606 0.86 PTGDR2 (0.35) PTGDR2
SCHEMBL2985976 0.85 MKNK2 (0.37) HTR6PTGDR2ALDH1A1KMT2A

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 4 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

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 HTR4 2236/4885PDE5A 822/4885HTR6 1962/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 HTR4 2236/4885PDE5A 822/4885HTR6 1962/4885

“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.