Sugi Predict

Sugi Predict / Compounds / SCHEMBL1748868

SCHEMBL1748868

SCHEMBL1748868

COc1cc2c(-c3cc4cccnc4[nH]3)cn(C)c2cc1OCC(=O)NC1=CCOc2c(C(=O)O)cccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.57
▸ SYK P43405 1/20 0.41
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ DHODH Q02127 7/20 0.33
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL1748869 0.80 IGF1R (0.56) IGF1RSYKCCNE1CDK2CCNT1
SCHEMBL1749103 0.80 IGF1R (0.80) IGF1RSYKCCNE1CDK2CDK9
SCHEMBL1749191 0.77 IGF1R (0.62) IGF1RSYKRIPK1HTT
SCHEMBL1780899 0.76 IGF1R (1.00) IGF1RSYKCDK9JAK2LCK
SCHEMBL1748575 0.76 IGF1R (0.68) IGF1RSYKCCNT1CDK9RIPK1
SCHEMBL1749017 0.75 IGF1R (0.70) IGF1RSYKJAK2LCKGSK3A
SCHEMBL1778539 0.75 IGF1R (0.90) IGF1RSYKCDK9JAK2LCK
Trifluoroacetic Acid SCHEMBL1749884 0.75 IGF1R (0.69) IGF1RSYKCCNE1CDK2CDK9
SCHEMBL1748786 0.74 IGF1R (0.83) IGF1RSYKCCNE1CDK2CDK9
SCHEMBL1748773 0.73 IGF1R (0.66) IGF1RSYKRIPK1TDP1

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 IGF1R 817/4885SYK 379/4885CCNE1 494/4885
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 IGF1R 817/4885SYK 379/4885CCNE1 494/4885

“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.