SCHEMBL2995256

SCHEMBL2995256

COc1cccc2[nH]nc(OC)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
TTK P33981 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.42
HTR2C P28335 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ITK Q08881 1/20 0.40
MAPK10 P53779 1/20 0.40
RIPK1 Q13546 1/20 0.40
MAPK8 P45983 1/20 0.39
HTR6 P50406 1/20 0.39
HTR2B P41595 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1960297 0.81 HTR2A (0.51) HTR2ATTKABCG2HTR2CHPGD
SCHEMBL14631557 0.80 HTR2A (0.50) HTR2ATTKABCG2HTR2CHPGD
SCHEMBL18526 0.80 GAA (0.56) HTR2ATTKABCG2KEAP1NFE2L2
SCHEMBL30548031 0.80 HTR2A (0.50) HTR2ATTKABCG2HTR2CHPGD
SCHEMBL13182179 0.80 HTR2A (0.40) HTR2ATTKMEN1KMT2AMAPK10
SCHEMBL30522124 0.80 GAA (0.56) HTR2ATTKABCG2KEAP1NFE2L2
SCHEMBL7737860 0.80 HTR2A (0.38) HTR2ATTKMEN1KMT2AMAPK10
SCHEMBL2302855 0.80 PDPK1 (0.40) HTR2ATTKMAPK1
SCHEMBL18848185 0.77 HTR2A (0.48) HTR2ATTKABCG2HTR2CHPGD
SCHEMBL19134544 0.77 HTR2A (0.48) HTR2ATTKABCG2HTR2CHPGD

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 HTR2A 1367/4885TTK 370/4885ABCG2 788/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 HTR2A 1367/4885TTK 370/4885ABCG2 788/4885

“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.