SCHEMBL10100533

SCHEMBL10100533

COc1cccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.43
CHEK2 O96017 3/20 0.40
LRRK2 Q5S007 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CHEK1 O14757 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL10100539 0.91 FYN (0.46) FYNCHEK2LMNATSHRRAB9A
SCHEMBL10100542 0.90 FYN (0.44) FYNCHEK2TLR7
SCHEMBL10100545 0.90 FYN (0.55) FYNCHEK2TLR7
SCHEMBL10100551 0.90 FYN (0.43) FYNCHEK2TLR7
SCHEMBL10100483 0.89 FYN (0.43) FYNCHEK2LRRK2LMNATSHR
SCHEMBL10100587 0.88 FYN (0.42) FYNCHEK2LMNATSHRRAB9A
SCHEMBL10100738 0.88 FYN (0.44) FYNCHEK2TLR7
SCHEMBL10100529 0.85 FYN (0.46) FYNCHEK2CHEK1
SCHEMBL10100526 0.85 FYN (0.39) FYNCHEK2TLR7
SCHEMBL10100515 0.84 LRRK2 (0.41) FYNCHEK2LRRK2

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-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 FYN 532/4885CHEK2 109/4885LRRK2 856/4885

“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.