SCHEMBL174184

SCHEMBL174184

CCOc1cnc2ccc(OCc3nn(-c4cc(F)cc(F)c4)ccc3=S)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.38
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P2RX7 Q99572 3/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAOB P27338 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN2B Q13224 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TP53 P04637 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL371334 0.88 MET (0.39) METGAARXFP1P2RX7PDE3B
SCHEMBL162897 0.85 PDE10A (0.37) METPPARG
SCHEMBL370859 0.80 ALDH1A1 (0.34) METGAARXFP1PDE3BPDE3A
SCHEMBL10283533 0.78 MET (0.50) METMEN1KMT2A
SCHEMBL12503439 0.77 MET (0.40) METRXFP1P2RX7PDE3BPDE3A
SCHEMBL164663 0.74 MET (0.42) MET
SCHEMBL10283420 0.74 KMT2A (0.35) PDE3BPDE3AMAPTMEN1KMT2A
SCHEMBL173298 0.73 BRD4 (0.38) METPDE3BPDE3A
SCHEMBL14915758 0.72 ALDH1A1 (0.34) GAAPDE3BPDE3AMAPTMEN1
SCHEMBL15648249 0.72 PDE3B (0.47) PDE3BPDE3AMAPTHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP claimed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US claimed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO claimed
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 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-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 MET 1/4885GAA 1930/4885RXFP1 3600/4885

“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.