SCHEMBL1748733

SCHEMBL1748733

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCCN1CCC(N2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDR P35968 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EPHA2 P29317 2/20 0.35
EPHB4 P54760 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
EGFR P00533 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL1748875 0.87 VEGFA (0.44) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4502452 0.87 KIT (0.38) KDREPHA2EPHB4EGFRKIT
SCHEMBL1748775 0.86 PTGDR2 (0.37) KDREPHA2EPHB4
SCHEMBL1749112 0.86 KIT (0.36) KDREPHA2EPHB4EGFRKIT
SCHEMBL1749060 0.84 PTGDR2 (0.37) ALDH1A1KDRMEN1KMT2AEPHA2
SCHEMBL1748718 0.84 PTGDR2 (0.39) ALDH1A1KDM4EKDREPHA2EPHB4
SCHEMBL1749146 0.84 PTGDR2 (0.36) KDREPHA2EPHB4
SCHEMBL1748734 0.83 EPHA2 (0.33) ALDH1A1KDREPHA2EPHB4
SCHEMBL1749273 0.80 PTGDR2 (0.39)
SCHEMBL1748867 0.79 IGF1R (0.39) KDRADRA1AADRA1B

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 HRH3 1501/4885ALDH1A1 3780/4885KDM4E 981/4885
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 HRH3 1501/4885ALDH1A1 3780/4885KDM4E 981/4885

“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.