SCHEMBL4279532

SCHEMBL4279532

CC(C)(C)OC(=O)n1ccc2cc(Oc3ccnc(Nc4cccc([N+](=O)[O-])c4)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.44
ABL1 P00519 4/20 0.42
BCR P11274 3/20 0.42
PRKCA P17252 3/20 0.42
KDR P35968 12/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
CDK2 P24941 4/20 0.41
CDK4 P11802 3/20 0.41
GSK3B P49841 2/20 0.41
SLC2A1 P11166 1/20 0.41
RET P07949 1/20 0.41
FLT1 P17948 1/20 0.41
AURKA O14965 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 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
SCHEMBL13805463 0.87 KDR (0.52) METKDRRETFLT1
SCHEMBL4279357 0.87 KDR (0.48) KDRRETFLT1CDK5
SCHEMBL13805467 0.87 EGFR (0.48) METABL1BCRPRKCAKDR
SCHEMBL13805509 0.85 ABL1 (0.49) METABL1BCRPRKCAKDR
SCHEMBL13805517 0.80 ABL1 (0.48) METABL1BCRPRKCAKDR
SCHEMBL4283759 0.78 KDR (0.42) ABL1KDREGFRSRCRET
SCHEMBL4279486 0.76 KDR (0.42) ABL1KDREGFRSRC
SCHEMBL312821 0.74 MAPT (0.47) ABL1KDREGFRSRC
SCHEMBL31532161 0.74 MAPT (0.47) ABL1KDREGFRSRC
SCHEMBL13805468 0.73 EGFR (0.53) KDREGFRGSK3BRETFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
EP-1934200-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-06-25 EP disclosed
WO-2007035309-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-03-29 WO disclosed
WO-2007035309-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-03-29 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-20090149467-A1 Tyrosine Kinase Inhibitors ABL1, MET, ERBB2 MET 2/4885ABL1 1/4885BCR 182/4885

“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.