SCHEMBL359034

SCHEMBL359034

COCCOc1cnc2ccc(OCc3nn(-c4ccc(F)c(F)c4)ccc3=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.51
MIF P14174 4/20 0.39
GRIN2B Q13224 2/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
SIGMAR1 Q99720 2/20 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
SCHEMBL12503439 0.90 MET (0.40) METGRIN2BRXRAGRIN1CYP3A4
SCHEMBL10283533 0.89 MET (0.50) METMIFCYP3A4CYP1A2CYP2D6
SCHEMBL359327 0.85 FBP1 (0.38) METMIFMALT1CYP3A4
SCHEMBL368129 0.84 MIF (0.40) METMIFCYP3A4
SCHEMBL360253 0.83 MET (0.43) METMIFCYP3A4
SCHEMBL368757 0.82 MET (0.37) METMIFCYP3A4
SCHEMBL14916094 0.82 MET (0.38) METMIFCYP3A4CYP1A2CYP2C9
SCHEMBL12503558 0.81 PDE10A (0.44) METGRIN2BRXRAGRIN1
SCHEMBL358400 0.81 CACNA2D1 (0.37) METMIFCYP3A4CYP2C9
SCHEMBL371334 0.79 MET (0.39) METGRIN2BCYP3A4CYP1A2CYP2D6

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 9 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
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 MET 3/4885MIF 945/4885GRIN2B 1912/4885

“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.