Sugi Predict

Sugi Predict / Compounds / SCHEMBL2991779

SCHEMBL2991779

SCHEMBL2991779

COc1cc2c(nc1OC)c(-c1cc3c(Cl)c(F)cnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCCN1CCN(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.35
▸ KDR P35968 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ EGFR P00533 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MET P08581 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ ADRA1B P35368 1/20 0.32

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
SCHEMBL2985845 0.97 HTR6 (0.34) HTR6KDRGSK3BAXLPIM1
SCHEMBL2993772 0.96 HTR6 (0.36) HTR6AXLPIM1PIM2TP53
SCHEMBL2982757 0.95 KIT (0.36) KDRGSK3BPIM1PIM2TP53
SCHEMBL2988527 0.93 KIT (0.37) GSK3BKDM4EHSD17B10EGFRMET
SCHEMBL2996946 0.92 TDP1 (0.35) PIM1PIM2CYP3A4METDRD2
SCHEMBL2991331 0.92 HTR4 (0.32) PIM1PIM2CYP3A4DRD2SLC6A2
SCHEMBL2988487 0.91 PIM1 (0.35) PIM1PIM2KDM4ETP53
SCHEMBL2989166 0.90 PIM1 (0.35) PIM1PIM2KDM4ETP53
SCHEMBL2989479 0.90 KIT (0.36) KDRGSK3BPIM1PIM2KDM4E
SCHEMBL2991242 0.89 PIM1 (0.35) PIM1PIM2KDM4ETP53

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 HTR6 1962/4885KDR 637/4885GSK3B 438/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 HTR6 1962/4885KDR 637/4885GSK3B 438/4885

“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.