SCHEMBL1749067

SCHEMBL1749067

COc1cc2c(-c3cc4c(CNC5CCN(C)CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.38
CYP3A4 P08684 2/20 0.37
DRD2 P14416 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR7 P34969 2/20 0.37
HRH1 P35367 2/20 0.37
ADRA1B P35368 2/20 0.37
SLC6A3 Q01959 2/20 0.37
IGF1R P08069 1/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A4 P31645 1/20 0.35
EGFR P00533 3/20 0.35
HTR6 P50406 1/20 0.34
TP53 P04637 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
CCNT1 O60563 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
SCHEMBL1748813 0.95 IGF1R (0.37) GSK3BIGF1RHTR6TP53TACR1
SCHEMBL1749323 0.93 KDM4E (0.39) GSK3BIGF1RKCNH2HTR6TP53
SCHEMBL2996528 0.90 CYP3A4 (0.34) GSK3BCYP3A4DRD2SLC6A2HTR2A
SCHEMBL1749361 0.87 HTR6 (0.47) CYP3A4HTR2ACYP2D6HTR6
SCHEMBL2990418 0.85 MCHR1 (0.34) GSK3BIGF1RTP53
SCHEMBL1749561 0.84 HTR6 (0.38) IGF1RHTR6TP53MEN1KMT2A
SCHEMBL1749798 0.83 PTGDR2 (0.39) IGF1RHTR6TP53
SCHEMBL1748824 0.83 IGF1R (0.39) IGF1RHTR6TP53SMN1; SMN2
SCHEMBL1749257 0.83 IGF1R (0.39) IGF1RHTR6TP53MEN1KMT2A
SCHEMBL1748968 0.83 IGF1R (0.37) IGF1RHTR6TP53MEN1KMT2A

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 GSK3B 536/4885CYP3A4 1204/4885DRD2 2844/4885
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 GSK3B 536/4885CYP3A4 1204/4885DRD2 2844/4885

“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.