SCHEMBL359327

SCHEMBL359327

COCCOc1cnc2ccc(OCc3nn(-c4cccc(Br)c4)ccc3=O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.38
MET P08581 7/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MIF P14174 4/20 0.35
CYP3A4 P08684 1/20 0.35
GRM4 Q14833 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA2D1 P54289 1/20 0.34
POLB P06746 1/20 0.33
APP P05067 1/20 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
SCHEMBL358400 0.85 CACNA2D1 (0.37) METMIFCYP3A4NPC1RAB9A
SCHEMBL359034 0.85 MET (0.51) METMIFCYP3A4MALT1
SCHEMBL10283533 0.85 MET (0.50) METMIFCYP3A4KMT2AAPP
SCHEMBL368129 0.83 MIF (0.40) METMIFCYP3A4GRM4APP
SCHEMBL163738 0.82 PDE10A (0.44) CA12CA9CYP3A4NPC1RAB9A
SCHEMBL368757 0.82 MET (0.37) METMIFCYP3A4GRM4APP
SCHEMBL14916094 0.80 MET (0.38) METMIFCYP3A4APP
SCHEMBL360253 0.79 MET (0.43) METMIFCYP3A4
SCHEMBL10283510 0.76 CA12 (0.36) CA12CA9CACNA2D1
SCHEMBL12503439 0.75 MET (0.40) METCYP3A4

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-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET FBP1 1609/4885MET 3/4885CA12 4701/4885

“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.