SCHEMBL13449288

SCHEMBL13449288

CC(C)COC(=O)Nc1cccc(Cc2nn(-c3cnn(C)c3)ccc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LCK P06239 4/20 0.36
KDR P35968 3/20 0.36
HCK P08631 2/20 0.36
SRC P12931 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGER1 P34995 1/20 0.34
ELANE P08246 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
GPR142 Q7Z601 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
SCHEMBL13274794 0.93 PARP1 (0.40) PARP1LMNATSHRHTTALOX15
SCHEMBL13274697 0.92 PARP1 (0.39) PARP1ELANEJAK1JAK3GPR142
SCHEMBL13274608 0.92 LMNA (0.38) PARP1LMNATSHRHTTMAPK1
SCHEMBL13275503 0.91 LCK (0.40) PARP1LMNATSHRHTTMAPK1
SCHEMBL13449315 0.91 PARP1 (0.39) PARP1LMNATSHRHTTMAPK1
SCHEMBL13465435 0.91 PARP1 (0.49) PARP1LMNAHTTMAPK1SMN1; SMN2
SCHEMBL13449322 0.90 PARP1 (0.39) PARP1LMNATSHRHTTMAPK1
SCHEMBL13275309 0.90 PARP1 (0.38) PARP1LMNATSHRHTTMAPK1
SCHEMBL13465695 0.90 PARP1 (0.38) PARP1ELANEJAK1JAK3GPR142
SCHEMBL13449319 0.90 PARP1 (0.40) 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.