SCHEMBL5754458

SCHEMBL5754458

CC(=O)NCCc1nccn1CCCCc1ccc(OCc2coc(C=Cc3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.63
MINK1 Q8N4C8 1/20 0.63
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5754454 1.00 ERBB2 (0.63) ERBB2MINK1MEN1KMT2A
SCHEMBL5753167 0.93 ERBB2 (0.61) ERBB2MINK1
SCHEMBL5753162 0.93 ERBB2 (0.61) ERBB2MINK1
SCHEMBL5751639 0.90 ERBB2 (0.64) ERBB2MINK1
SCHEMBL5751641 0.90 ERBB2 (0.64) ERBB2MINK1
SCHEMBL5753001 0.89 ERBB2 (0.63) ERBB2MINK1
SCHEMBL5753006 0.89 ERBB2 (0.63) ERBB2MINK1
SCHEMBL5752642 0.89 ERBB2 (0.66) ERBB2MINK1
SCHEMBL5752630 0.89 ERBB2 (0.66) ERBB2MINK1
SCHEMBL5751103 0.88 ERBB2 (0.70) ERBB2MINK1

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-6984653-B2 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-10 US disclosed
US-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
EP-1439178-A1 HETEROCYCLIC COMPOUNDS, OXAZOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-21 EP 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-20040242659-A1 Heterocyclic compounds, oxazole derivatives, process for preparation of the same and use thereof ABL1, JAK1, BTK ERBB2 17/4885MINK1 477/4885MEN1 1250/4885

“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.