SCHEMBL10100539

SCHEMBL10100539

COc1ccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCN(C)C)c(F)c3F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.46
CHEK2 O96017 2/20 0.40
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
MAP4K4 O95819 1/20 0.38
TGFBR1 P36897 1/20 0.37
ATM Q13315 1/20 0.36
NR1I2 O75469 1/20 0.35
KCNN4 O15554 1/20 0.35
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
KDR P35968 1/20 0.34
ETV6 P41212 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL10100587 0.97 FYN (0.42) FYNCHEK2ALDH1A1NPC1LMNA
SCHEMBL10100533 0.91 FYN (0.43) FYNCHEK2ALDH1A1NPC1LMNA
SCHEMBL10100774 0.91 FYN (0.41) FYNCHEK2ALDH1A1NPC1LMNA
SCHEMBL10100542 0.91 FYN (0.44) FYNCHEK2ATMKCNN4RET
SCHEMBL10100584 0.89 FYN (0.41) FYNCHEK2MAP4K4KCNN4TLR7
SCHEMBL10100493 0.89 FYN (0.41) FYNCHEK2ALDH1A1NPC1LMNA
SCHEMBL10100738 0.88 FYN (0.44) FYNCHEK2MAP4K4KCNN4RET
SCHEMBL10100515 0.86 LRRK2 (0.41) FYNCHEK2MAP4K4KDR
SCHEMBL10100535 0.86 EPHX2 (0.42) FYNCHEK2KCNN4KDRTLR7
SCHEMBL10100551 0.85 FYN (0.43) FYNCHEK2MAP4K4KCNN4TLR7

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 109/4885ALDH1A1 1951/4885

“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.