SCHEMBL4502452

SCHEMBL4502452

COc1cc2c(-c3cc4c(Cl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OCCNCCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.38
KDR P35968 5/20 0.36
EPHA2 P29317 2/20 0.36
EPHB4 P54760 2/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
EGFR P00533 2/20 0.35
MET P08581 1/20 0.35
EHMT2 Q96KQ7 5/20 0.35
EHMT1 Q9H9B1 5/20 0.35
GAA P10253 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
SCHEMBL1749112 0.99 KIT (0.36) KITKDREPHA2EPHB4FLT1
SCHEMBL1748733 0.87 HRH3 (0.40) KITKDREPHA2EPHB4EGFR
SCHEMBL1749060 0.86 PTGDR2 (0.37) KITKDREPHA2EPHB4FLT1
SCHEMBL1748775 0.86 PTGDR2 (0.37) KDREPHA2EPHB4MET
SCHEMBL1748718 0.85 PTGDR2 (0.39) KDREPHA2EPHB4MET
SCHEMBL1749146 0.85 PTGDR2 (0.36) KDREPHA2EPHB4MET
SCHEMBL1749273 0.81 PTGDR2 (0.39)
SCHEMBL1748734 0.81 EPHA2 (0.33) KDREPHA2EPHB4
SCHEMBL1748689 0.79 TP53 (0.39) GAA
SCHEMBL1748698 0.79 TP53 (0.39) KITKDREPHA2EPHB4EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 KIT 478/4885KDR 513/4885EPHA2 1440/4885

“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.