SCHEMBL358988

SCHEMBL358988

CCn1cc(-n2ccc(=O)c(COc3ccc4ncc(OCc5noc(C)n5)cc4c3)n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.33
GRIN1 Q05586 3/20 0.31
GRIN2B Q13224 3/20 0.31
TLR7 Q9NYK1 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
TAS2R8 Q9NYW2 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
SCHEMBL368757 0.84 MET (0.37) TAS2R8
SCHEMBL367674 0.84
SCHEMBL370955 0.82 MET (0.38) GRIN2B
SCHEMBL371343 0.81 PDGFRB (0.45)
SCHEMBL368322 0.81 PDGFRB (0.41)
SCHEMBL359863 0.81 PDGFRB (0.34) P2RX3
SCHEMBL14916548 0.81
SCHEMBL359896 0.81 EIF2AK4 (0.41)
SCHEMBL10283523 0.80 MET (0.39) GRIN1GRIN2B
SCHEMBL10283772 0.80 MET (0.35) GRIN2B

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 6 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
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

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 P2RX3 2256/4885GRIN1 1117/4885GRIN2B 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.