SCHEMBL359863

SCHEMBL359863

CCn1cc(-n2ccc(=O)c(COc3ccc4ncc(-c5cncnc5)cc4c3)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
GRM2 Q14416 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
FGFR1 P11362 3/20 0.32
FGFR2 P21802 3/20 0.32
FGFR3 P22607 3/20 0.32
PIK3CG P48736 2/20 0.32
FGFR4 P22455 2/20 0.32
KDR P35968 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MET P08581 7/20 0.31
P2RX3 P56373 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
SCHEMBL371343 0.91 PDGFRB (0.45) PDGFRBPDGFRAGRM2FGFR1FGFR2
SCHEMBL370955 0.90 MET (0.38) PDGFRBPDGFRALRRK2METKDM4E
SCHEMBL368322 0.90 PDGFRB (0.41) PDGFRBPDGFRAGRM2FGFR1FGFR2
SCHEMBL10283523 0.89 MET (0.39) PDGFRBPDGFRALRRK2MET
SCHEMBL368924 0.88 GRM2 (0.38) PDGFRBPDGFRAGRM2FGFR1FGFR2
SCHEMBL10283774 0.88 LRRK2 (0.36) PDGFRBPDGFRAFGFR1FGFR2FGFR3
SCHEMBL368139 0.87 PDGFRB (0.39) PDGFRBPDGFRAGRM2FGFR1FGFR2
SCHEMBL14915761 0.87 MET (0.41) PDGFRBPDGFRAMETALDH1A1
SCHEMBL10283522 0.87 MET (0.40) FGFR1FGFR2FGFR3PIK3CGFGFR4
SCHEMBL14916103 0.87 GRIN2B (0.36) PDGFRBPDGFRAFGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US 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
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 PDGFRB 64/4885PDGFRA 54/4885GRM2 696/4885

“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.