SCHEMBL368757

SCHEMBL368757

CCn1cc(-n2ccc(=O)c(COc3ccc4ncc(OCCOC)cc4c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.37
MIF P14174 4/20 0.37
CYP3A4 P08684 1/20 0.34
GRM4 Q14833 1/20 0.34
APP P05067 2/20 0.34
TAS2R8 Q9NYW2 2/20 0.33
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32
PRKAB2 O43741 1/20 0.31
ABL1 P00519 1/20 0.31
CSF1R P07333 1/20 0.31
LYN P07948 1/20 0.31
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31
PRKAG1 P54619 1/20 0.31
SIK1 P57059 1/20 0.31
PRKAA1 Q13131 1/20 0.31
SIK2 Q9H0K1 1/20 0.31

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
SCHEMBL368129 0.90 MIF (0.40) METMIFCYP3A4GRM4APP
SCHEMBL10283522 0.88 MET (0.40) METPRKAB2ABL1CSF1RLYN
SCHEMBL367674 0.87
SCHEMBL368322 0.86 PDGFRB (0.41) METPRKAB2ABL1CSF1RLYN
SCHEMBL370955 0.85 MET (0.38) METGRM4
SCHEMBL371343 0.84 PDGFRB (0.45) MET
SCHEMBL359863 0.84 PDGFRB (0.34) METEIF2AK4
SCHEMBL358988 0.84 P2RX3 (0.33) TAS2R8
SCHEMBL368139 0.84 PDGFRB (0.39) METPRKAB2ABL1CSF1RLYN
SCHEMBL14916548 0.84

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 MET 3/4885MIF 945/4885CYP3A4 4244/4885

“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.