Sugi Predict

Sugi Predict / Compounds / SCHEMBL368139

SCHEMBL368139

SCHEMBL368139

CCn1cc(-n2ccc(=O)c(COc3ccc4ncc(-c5ccc(OC)nc5)cc4c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 3/20 0.39
▸ PDGFRA P16234 3/20 0.39
▸ GRM2 Q14416 2/20 0.39
▸ PDE1B Q01064 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ FGFR1 P11362 3/20 0.33
▸ FGFR2 P21802 3/20 0.33
▸ FGFR3 P22607 3/20 0.33
▸ FGFR4 P22455 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33

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
SCHEMBL368322 0.93 PDGFRB (0.41) PDGFRBPDGFRAGRM2PIK3CDFGFR1
SCHEMBL10283774 0.89 LRRK2 (0.36) PDGFRBPDGFRAPIK3CDPIK3CAFGFR1
SCHEMBL368924 0.89 GRM2 (0.38) PDGFRBPDGFRAGRM2PIK3CDPIK3CA
SCHEMBL10283523 0.88 MET (0.39) PDGFRBPDGFRAGRM5METLRRK2
SCHEMBL370955 0.88 MET (0.38) PDGFRBPDGFRAMETLRRK2PPARG
SCHEMBL14916103 0.88 GRIN2B (0.36) PDGFRBPDGFRAFGFR1FGFR2FGFR3
SCHEMBL371343 0.87 PDGFRB (0.45) PDGFRBPDGFRAGRM2PIK3CDPIK3CA
SCHEMBL359863 0.87 PDGFRB (0.34) PDGFRBPDGFRAGRM2PIK3CDPIK3CA
SCHEMBL10283522 0.86 MET (0.40) PIK3CDPIK3CAFGFR1FGFR2FGFR3
SCHEMBL14915783 0.86 JAK2 (0.38) PDGFRBPDGFRALRRK2

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 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.