Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749236

SCHEMBL1749236

SCHEMBL1749236

COc1cc2c(-c3cc4c(CN5CC(NC(=O)OC(C)(C)C)C5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 3/20 0.39
▸ KDM4D Q6B0I6 2/20 0.34
▸ NAMPT P43490 2/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ DDR1 Q08345 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 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
SCHEMBL1749903 0.92 SUV39H2 (0.34) CFTRSUV39H2IGF1RDDR1HTR6
SCHEMBL1749561 0.83 HTR6 (0.38) IGF1RHTR6TP53HPGDSMN1; SMN2
SCHEMBL1749361 0.83 HTR6 (0.47) HTR6
SCHEMBL1748813 0.82 IGF1R (0.37) IGF1RHTR6TP53SMN1; SMN2
SCHEMBL5540138 0.82 NAMPT (0.36) CFTRNAMPTSUV39H2NSD2JAK2
SCHEMBL1749798 0.81 PTGDR2 (0.39) IGF1RHTR6TP53
SCHEMBL1749294 0.81 IGF1R (0.47) CFTRIGF1RDDR1CCNT1CDK9
SCHEMBL1749323 0.80 KDM4E (0.39) IGF1RHTR6TP53SMN1; SMN2
SCHEMBL1749067 0.80 GSK3B (0.38) IGF1RKDRHTR6TP53SMN1; SMN2
SCHEMBL1749257 0.80 IGF1R (0.39) IGF1RHTR6TP53SMN1; SMN2

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
US-7968566-B2 Pyrrolo(2,3-b) pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-06-28 — — US disclosed
US-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2009-09-17 — — US disclosed
US-7528147-B2 Pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2009-05-05 — — US disclosed
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 — — 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-20090233956-A1 NOVEL PYRROLO(2,3-b) PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K1 CFTR 3110/4885KDM4D 1640/4885NAMPT 1145/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 CFTR 3110/4885KDM4D 1640/4885NAMPT 1145/4885

“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.