SCHEMBL173429

SCHEMBL173429

CCOc1cnc(-c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=S)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
ENPP2 Q13822 1/20 0.33
FYN P06241 1/20 0.33
MET P08581 9/20 0.33
NQO2 P16083 1/20 0.33
IRAK4 Q9NWZ3 5/20 0.32
IRAK1 P51617 4/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
IGF1R P08069 2/20 0.32

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
SCHEMBL164341 0.92 MET (0.38) ENPP2FYNMETIRAK4IRAK1
SCHEMBL174002 0.90 MET (0.42) METPPARGPPARAIGF1R
SCHEMBL164227 0.89 BRD4 (0.37) BRD4CCL2ENPP2FYNMET
SCHEMBL256018 0.84 TP53 (0.35) METNQO2PPARGPPARA
SCHEMBL163957 0.82 MET (0.43) METNQO2
SCHEMBL2221907 0.81 ALKBH1 (0.41) PPARGPPARA
SCHEMBL255611 0.81 MET (0.41) ENPP2METPPARGPPARA
SCHEMBL2268190 0.80 PPARG (0.37) ENPP2METIRAK4IRAK1PPARG
SCHEMBL2363122 0.80 MET (0.34) ENPP2FYNMETNQO2IRAK4
SCHEMBL255605 0.80 MET (0.44) METPPARGPPARAIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US 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
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 BRD4 1043/4885CCL2 2986/4885ENPP2 1182/4885

“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.