SCHEMBL13449281

SCHEMBL13449281

CC(C)COC(=O)Nc1cccc(Cc2nn(-c3ccn(C)n3)ccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
JMJD6 Q6NYC1 1/20 0.35
MET P08581 5/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER1 P34995 1/20 0.34

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
SCHEMBL12517652 0.90 PARP1 (0.52) PARP1LMNAHTTMAPK1SMN1; SMN2
SCHEMBL12517920 0.88 HPGD (0.44) PARP1LMNASMN1; SMN2METNPC1
SCHEMBL13449288 0.85 PARP1 (0.40) PARP1LMNATSHRHTTMAPK1
SCHEMBL2365235 0.85 LMNA (0.39) PARP1LMNAMAPK1L3MBTL1SMN1; SMN2
SCHEMBL13449292 0.84 LMNA (0.42) PARP1LMNATSHRHTTMAPK1
SCHEMBL12516614 0.84 MET (0.44) PARP1LMNATSHRHTTMAPK1
SCHEMBL13449293 0.83 PARP1 (0.41) PARP1LMNATSHRHTTMAPK1
SCHEMBL13449274 0.83 PARP1 (0.41) PARP1LMNATSHRHTTMAPK1
SCHEMBL13274608 0.82 LMNA (0.38) PARP1LMNATSHRHTTMAPK1
SCHEMBL13465840 0.82 PARP1 (0.42) PARP1LMNATSHRHTTMAPK1

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 PARP1 2307/4885LMNA 4501/4885TSHR 1264/4885

“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.