SCHEMBL1749227

SCHEMBL1749227

COc1ccc(CNCc2ccnc3c2cc(-c2cn(C)c4cc(OC)c(OC)cc24)n3S(=O)(=O)c2ccc(C)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
SCN9A Q15858 2/20 0.38
EED O75530 1/20 0.37
IGF1R P08069 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 2/20 0.35
HTR6 P50406 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 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
SCHEMBL1749211 0.89 IGF1R (0.39) SCN9AEEDIGF1RALDH1A1TP53
SCHEMBL1748968 0.88 IGF1R (0.37) EEDIGF1RKMT2AKDM4EMEN1
SCHEMBL1749143 0.86 IGF1R (0.37) EEDIGF1RKMT2AMEN1ALDH1A1
SCHEMBL1748721 0.85 IGF1R (0.37) IGF1RKMT2AHTR6PTGDR2
SCHEMBL1749285 0.85 ALDH1A1 (0.38) SCN9AEEDIGF1RKDM4EALDH1A1
SCHEMBL1749798 0.85 PTGDR2 (0.39) SCN9AIGF1RTP53HTR6PTGDR2
SCHEMBL1748824 0.85 IGF1R (0.39) EEDIGF1RMAPTTP53HTR6
SCHEMBL1749257 0.85 IGF1R (0.39) EEDIGF1RKMT2AKDM4EMEN1
SCHEMBL1748813 0.85 IGF1R (0.37) SCN9AEEDIGF1RKDM4EALDH1A1
SCHEMBL1748804 0.85 IGF1R (0.39) SCN9AEEDIGF1RALDH1A1MAPT

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 6 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
EP-1732546-A2 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) 2006-12-20 EP disclosed
WO-2005095399-A2 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) 2005-10-13 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-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 APLNR 3581/4885SCN9A 3079/4885EED 4472/4885
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 APLNR 3581/4885SCN9A 3079/4885EED 4472/4885

“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.