SCHEMBL4466586

SCHEMBL4466586

NC(=O)CNc1cc2c(Nc3ccc(ON4CCCCC4C(=O)C4CCCC4)c(Cl)c3)ncnc2cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.45
ERBB2 P04626 13/20 0.45
ERBB4 Q15303 9/20 0.45
JAK3 P52333 5/20 0.45
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5831990 0.84 ERBB2 (0.57) EGFRERBB2ERBB4JAK3EPHA2
SCHEMBL4466584 0.80 EGFR (0.42) EGFRERBB2ERBB4JAK3EPHA2
SCHEMBL4455172 0.74 ERBB2 (0.58) EGFRERBB2ERBB4JAK3EPHA2
SCHEMBL4462111 0.72 ERBB2 (0.65) EGFRERBB2EPHA2KDR
SCHEMBL4476615 0.72 ERBB2 (0.62) EGFRERBB2EPHA2KDR
SCHEMBL4475534 0.71 ERBB2 (0.56) EGFRERBB2ERBB4JAK3EPHA2
SCHEMBL4471436 0.71 ERBB2 (0.59) EGFRERBB2EPHA2KDR
SCHEMBL4463707 0.71 ERBB2 (0.60) EGFRERBB2EPHA2KDR
SCHEMBL4465922 0.70 ERBB2 (0.73) EGFRERBB2EPHA2KDR
SCHEMBL4471115 0.70 ERBB2 (0.72) EGFRERBB2EPHA2KDR

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-7585869-B2 Substituted heterocylces for the treatment of abnormal cell growth PFIZER, INC. (US) 2009-09-08 US disclosed
US-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth PFIZER INC 2004-12-02 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-20040242604-A1 Substituted heterocycles for the treatment of abnormal cell growth CCNA1, CCNT1, CCNY EGFR 166/4885ERBB2 1183/4885ERBB4 835/4885

“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.