SCHEMBL2297443

SCHEMBL2297443

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cc4ccccc4cn3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 13/20 0.47
EGLN1 Q9GZT9 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAP3K5 Q99683 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL2295161 0.93 CBLB (0.47) CBLBEGLN1EGFRMEN1NPC1
SCHEMBL2299761 0.87 SMN1; SMN2 (0.49) CBLBMEN1NPC1TP53MAPT
SCHEMBL2297630 0.87 SMN1; SMN2 (0.51) CBLBMEN1NPC1MAPTRAB9A
SCHEMBL2299723 0.86 GRM4 (0.48) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2298619 0.86 RAB9A (0.52) MEN1NPC1USP2TP53MAPT
SCHEMBL2294478 0.85 NPC1 (0.48) MEN1NPC1TP53MAPTRAB9A
SCHEMBL2298763 0.84 NPC1 (0.37) MEN1NPC1TP53MAPTRAB9A
SCHEMBL5300582 0.83 TP53 (0.45) MEN1NPC1TP53MAPTRAB9A
SCHEMBL2295379 0.83 NR1H4 (0.47) MEN1NPC1TP53MAPTRAB9A
SCHEMBL2292264 0.82 NPC1 (0.44) EGFRMEN1NPC1TP53MAPT

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 4 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

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 CBLB 4122/4885EGLN1 2260/4885EGFR 232/4885

“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.