SCHEMBL13465733

SCHEMBL13465733

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.40
PARP1 P09874 7/20 0.39
JAK3 P52333 3/20 0.37
JAK1 P23458 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
LRRK2 Q5S007 1/20 0.35
TNIK Q9UKE5 1/20 0.35

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
SCHEMBL13465435 0.92 PARP1 (0.49) METPARP1JAK3JAK1HTR1A
SCHEMBL13449289 0.91 PARP1 (0.40) METPARP1JAK3HTR1AHTR1D
SCHEMBL13465487 0.91 PARP1 (0.41) METPARP1JAK3JAK1
SCHEMBL13465736 0.91 MGLL (0.45) PARP1
SCHEMBL255442 0.91 RORC (0.40) PARP1SIRT2
SCHEMBL12517697 0.90 PARP1 (0.38) METPARP1JAK3JAK1
SCHEMBL165695 0.90 PARP1 (0.40) METPARP1JAK3JAK1SIRT2
SCHEMBL13465493 0.90 PARP1 (0.40) METPARP1JAK3JAK1
SCHEMBL2221301 0.90 PARP1 (0.42) METPARP1JAK3JAK1LRRK2
SCHEMBL13449287 0.90 HPGD (0.42) METPARP1HTR1AHTR1DHTR1B

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 1 patent. 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

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 MET 2/4885PARP1 2307/4885JAK3 94/4885

“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.