SCHEMBL7584450

SCHEMBL7584450

COC(=O)CN1CCC(Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.59
EGFR P00533 19/20 0.59
ERBB4 Q15303 13/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
JAK3 P52333 3/20 0.57

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
SCHEMBL7584725 0.89 ERBB2 (0.58) ERBB2EGFRMEN1KMT2A
SCHEMBL7691002 0.86 ERBB2 (0.48) ERBB2EGFRERBB4MEN1KMT2A
SCHEMBL7585168 0.85 EGFR (0.73) ERBB2EGFRERBB4
SCHEMBL8565496 0.85 EGFR (0.70) ERBB2EGFRERBB4MEN1KMT2A
SCHEMBL7578731 0.85 EGFR (0.55) ERBB2EGFR
SCHEMBL8567263 0.84 EGFR (0.61) ERBB2EGFRERBB4MEN1KMT2A
SCHEMBL8567268 0.84 EGFR (0.61) ERBB2EGFRERBB4MEN1KMT2A
SCHEMBL7585049 0.84 EGFR (0.58) ERBB2EGFRERBB4MEN1KMT2A
SCHEMBL7852464 0.82 NOS1 (0.47) ERBB2EGFRMEN1KMT2A
SCHEMBL7585812 0.82 ERBB2 (0.56) ERBB2EGFRMEN1KMT2A

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 ERBB2 2419/4885EGFR 1041/4885ERBB4 3862/4885

“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.