SCHEMBL7578809

SCHEMBL7578809

O=C(O)CNCC1CCCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.60
ERBB2 P04626 7/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
BRAF P15056 10/20 0.44
ERBB4 Q15303 4/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL7577679 0.94 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL7587579 0.91 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998738 0.89 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL6997195 0.89 EGFR (0.62) EGFRERBB2MAPTHPGDHTT
SCHEMBL7578218 0.89 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315979 0.88 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL7584323 0.88 EGFR (0.67) EGFRERBB2MAPTHPGDHTT
SCHEMBL7578211 0.88 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL6989931 0.86 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991404 0.86 EGFR (0.62) EGFRERBB2MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-27 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-20020082420-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them PKD1, REN, CYP11B1 EGFR 1041/4885ERBB2 2419/4885MAPT 1580/4885

“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.