SCHEMBL2297477

SCHEMBL2297477

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3c(F)cccc3I)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.39
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
DYRK3 O43781 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
PRKCG P05129 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
FES P07332 1/20 0.38
CSF1R P07333 1/20 0.38
LYN P07948 1/20 0.38
ROS1 P08922 1/20 0.38
KIT P10721 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL2298719 0.94 NPC1 (0.41) TLR8CDK1CDK2DYRK3PRKD3
SCHEMBL12421968 0.89 TLR8 (0.38) TLR8CDK1CDK2DYRK3PRKD3
SCHEMBL5284873 0.84 GAA (0.37) ABL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2294478 0.83 NPC1 (0.48) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL2291245 0.83 RAB9A (0.38) FYNSRCKDRBTKSMN1; SMN2
SCHEMBL2294395 0.83 MAPT (0.46) SMN1; SMN2RAB9ALMNAMAPTKMT2A
SCHEMBL2298763 0.82 NPC1 (0.37) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL2296333 0.82 NPC1 (0.41) KDRSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2296917 0.82 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL2299723 0.81 GRM4 (0.48) KDRSMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 TLR8 4358/4885CDK1 260/4885CDK2 225/4885

“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.