SCHEMBL8288983

SCHEMBL8288983

NCCC(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.78
FLT3 P36888 1/20 0.59
ROCK2 O75116 1/20 0.58

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
SCHEMBL8288976 0.93 MET (0.79) METFLT3ROCK2
SCHEMBL4822304 0.89 MET (0.86) MET
SCHEMBL4776906 0.88 MET (0.79) METFLT3
SCHEMBL4068304 0.88 MET (0.83) METFLT3
SCHEMBL4820020 0.88 MET (0.86) METFLT3
SCHEMBL4818385 0.88 MET (1.00) METFLT3
SCHEMBL4773990 0.87 MET (0.74) MET
SCHEMBL4814798 0.87 MET (0.86) METFLT3
SCHEMBL4772466 0.87 MET (0.80) METFLT3
SCHEMBL4820172 0.86 MET (0.79) METFLT3ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249105-A1 Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2008-10-09 US disclosed
US-20080249105-A1 Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases BAYER HEALTHCARE AG (DE) 2008-10-09 US disclosed
WO-2005058891-A1 PYRROLOPYRIDINE-SUBSTITUTED BENZOL DERIVATIVES FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2005-06-30 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 (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-20080249105-A1 Pyrrolopyridine-Substituted Benzol Derivatives for Treating Cardiovascular Diseases PHB2, PHB1, TNNT2 MET 4445/4885FLT3 1688/4885ROCK2 3914/4885

“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.