Sugi Predict

Sugi Predict / Compounds / SCHEMBL3000507

SCHEMBL3000507

SCHEMBL3000507

COc1cc2c(nc1OC)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2CCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ CCNE1 P24864 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ TSHR P16473 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH3A1 P30838 3/20 0.33

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
SCHEMBL2992479 0.92 L3MBTL1 (0.39) L3MBTL1PTGDR2CCNE1CDK2TP53
SCHEMBL1748835 0.89 TP53 (0.42) L3MBTL1PTGDR2CCNE1CDK2TP53
SCHEMBL13093819 0.89 L3MBTL1 (0.42) L3MBTL1PTGDR2CCNE1CDK2TP53
SCHEMBL2984453 0.88 HTR6 (0.36) L3MBTL1PTGDR2CCNE1CDK2MAPT
SCHEMBL3098950 0.88 KMT2A (0.39) L3MBTL1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL2993214 0.87 PTGDR2 (0.36) PTGDR2TP53LMNAALDH3A1
SCHEMBL2986526 0.87 PIM1 (0.35) PTGDR2TP53TSHRLMNAMEN1
SCHEMBL1748894 0.85 TP53 (0.42) L3MBTL1PTGDR2CCNE1CDK2TP53
SCHEMBL2993349 0.83 PTGDR2 (0.36) PTGDR2TP53LMNAALDH3A1
SCHEMBL2991242 0.83 PIM1 (0.35) PTGDR2TP53TSHRSMN1; SMN2LMNA

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 3 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

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 L3MBTL1 4205/4885PTGDR2 1281/4885CCNE1 290/4885
US-20100256141-A1 NOVEL BIS-AZAINDOLE DERIVATIVES, PREPARATION AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS BRSK2, KSR2, CDK2 L3MBTL1 4205/4885PTGDR2 1281/4885CCNE1 290/4885

“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.