Sugi Predict

Sugi Predict / Compounds / SCHEMBL2988515

SCHEMBL2988515

SCHEMBL2988515

COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCCN1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.35
▸ QPCT Q16769 2/20 0.35
▸ KIT P10721 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RECQL P46063 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MET P08581 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ THRB P10828 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
SCHEMBL2986343 0.95 HTR6 (0.34) GSK3BQPCTPTGDR2TP53KDR
SCHEMBL2986214 0.92 TDP1 (0.34) TSHRALDH1A1RECQLPOLBGAA
SCHEMBL2997066 0.91 HTR4 (0.34) PTGDR2LMNA
SCHEMBL2993349 0.91 PTGDR2 (0.36) GSK3BQPCTPTGDR2TP53LMNA
SCHEMBL2994559 0.90 HTR4 (0.33) TSHRALDH1A1PTGDR2KCNH2
SCHEMBL2997504 0.90 HTR6 (0.37) TSHRALDH1A1GAAPTGDR2TP53
SCHEMBL2992606 0.90 PTGDR2 (0.35) GSK3BQPCTPTGDR2TP53LMNA
SCHEMBL2985976 0.90 MKNK2 (0.37) GSK3BKITALDH1A1NPSR1PTGDR2
SCHEMBL2982757 0.89 KIT (0.36) GSK3BQPCTKITTP53FLT1
SCHEMBL2993214 0.88 PTGDR2 (0.36) PTGDR2TP53LMNA

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 GSK3B 438/4885QPCT 2702/4885KIT 342/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 GSK3B 438/4885QPCT 2702/4885KIT 342/4885

“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.