SCHEMBL2298302

SCHEMBL2298302

O=C(O)CC(c1ccccc1)n1cnc2ccc(C(F)(F)F)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.40
TBXA2R P21731 1/20 0.39
FFAR1 O14842 1/20 0.39
PLK1 P53350 1/20 0.38
CTSA P10619 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
TACR1 P25103 1/20 0.38
PDPK1 O15530 1/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL2296211 0.86 TACR1 (0.40) PLK1NPSR1TACR1
SCHEMBL2296935 0.86 ALDH1A1 (0.46) AURKAKDRAURKBPTGDR2MEN1
SCHEMBL12421823 0.84 MEN1 (0.42) NPSR1MEN1HPGDKMT2AHSD17B10
SCHEMBL2297351 0.84 AVPR2 (0.46) AURKAKDRAURKBHPGDFNTA
SCHEMBL8263929 0.84 TBXA2R (0.37) TBXA2RPLK1NPSR1AURKAKDR
SCHEMBL2299632 0.84 KCNK3 (0.51) AURKAKDRAURKBMEN1KMT2A
SCHEMBL2298461 0.82 POLB (0.46) MEN1HPGDKMT2AHSD17B10
SCHEMBL12205423 0.82 MEN1 (0.42) CTSAMEN1HPGDKMT2AHSD17B10
SCHEMBL2296208 0.81 HPGD (0.55) MEN1HPGDKMT2AHSD17B10
SCHEMBL5297755 0.81 TRPV1 (0.44) NPSR1AURKAKDRAURKBMEN1

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 10 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
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP 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
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 EEF2K 3119/4885TBXA2R 108/4885FFAR1 1549/4885

“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.