SCHEMBL2293976

SCHEMBL2293976

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(Br)cc3Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
HDAC1 Q13547 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 5/20 0.37
CYP2C19 P33261 1/20 0.37
GRM4 Q14833 2/20 0.37
TP53 P04637 2/20 0.37
SMO Q99835 1/20 0.37
LRRK2 Q5S007 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
PTGFR P43088 1/20 0.36

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
SCHEMBL2298615 0.93 PTGDR2 (0.42) PTGDR2ITGB1ITGA4HDAC1MEN1
SCHEMBL2295555 0.89 TRPV1 (0.46) PTGDR2MEN1KMT2ARAB9ANPC1
SCHEMBL2297513 0.88 PLAU (0.41) HDAC1MAPTRAB9ANPC1PTGFR
SCHEMBL2298688 0.86 NPC1 (0.48) MEN1KMT2AMAPTTP53RAB9A
SCHEMBL2297005 0.86 MAPT (0.49) MEN1KMT2AMAPTTP53RAB9A
SCHEMBL2298655 0.84 RAB9A (0.48) MAPTTP53RAB9AKDM4ENPC1
SCHEMBL5301320 0.84 PTGS1 (0.49)
SCHEMBL2295598 0.83 MEN1 (0.43) MEN1KMT2AMAPTTP53RAB9A
SCHEMBL2297569 0.83 TMPRSS4 (0.49)
SCHEMBL2294478 0.83 NPC1 (0.48) MEN1KMT2AMAPTGRM4TP53

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 PTGDR2 916/4885ITGB1 3/4885ITGA4 5/4885

“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.