Sugi Predict

Sugi Predict / Compounds / SCHEMBL2996528

SCHEMBL2996528

SCHEMBL2996528

COc1cc2c(nc1OC)c(-c1cc3c(CNC4CCN(C)CC4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL2990418 0.96 MCHR1 (0.34) GSK3BMCHR1TP53ACVR1RAB9A
SCHEMBL2993241 0.93 CD274 (0.32) GSK3BMCHR1TP53RAB9ASCN9A
SCHEMBL2991591 0.91 PTGDR2 (0.33) MCHR1TP53RAB9ASCN9A
SCHEMBL1749067 0.90 GSK3B (0.38) CYP3A4DRD2SLC6A2HTR2AHTR2C
SCHEMBL2987048 0.90 BRD4 (0.35) HTR6EHMT2CCNT1CDK9
SCHEMBL2996055 0.89 PTGDR2 (0.33) SCN9A
SCHEMBL5540138 0.89 NAMPT (0.36) MCHR1
SCHEMBL2993803 0.86 NAMPT (0.34) EHMT2CCNT1CDK9SCN9A
SCHEMBL1748813 0.86 IGF1R (0.37) GSK3BHTR6MCHR1TP53RAB9A
SCHEMBL2989657 0.85 PTGDR2 (0.32) TP53RAB9ASCN9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP3A4 1155/4885DRD2 1254/4885SLC6A2 3682/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 CYP3A4 1155/4885DRD2 1254/4885SLC6A2 3682/4885

“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.