SCHEMBL2297351

SCHEMBL2297351

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
KDR P35968 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PTGES O14684 4/20 0.38
SORT1 Q99523 1/20 0.38
PTPRC P08575 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
MPO P05164 1/20 0.36
FNTA P49354 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
SCHEMBL5294216 0.93 AVPR2 (0.46) AVPR2GPR27KDRAURKAAURKB
SCHEMBL2296935 0.88 ALDH1A1 (0.46) KDRAURKAAURKBALDH1A1LMNA
SCHEMBL5297755 0.88 TRPV1 (0.44) KDRAURKAAURKBTRPV4ALDH1A1
SCHEMBL2299632 0.86 KCNK3 (0.51) KDRAURKAAURKBALDH1A1LMNA
SCHEMBL2298302 0.84 EEF2K (0.40) KDRAURKAAURKBHPGDFNTA
SCHEMBL2294478 0.83 NPC1 (0.48) LMNAKCNK3KCNK9
SCHEMBL2299938 0.82 NPC1 (0.42) KDRAURKAAURKBALDH1A1LMNA
SCHEMBL2295598 0.82 MEN1 (0.43) LMNAHPGD
SCHEMBL2296917 0.81 SMN1; SMN2 (0.39) ALDH1A1LMNAHPGD
SCHEMBL2295869 0.81 NPC1 (0.50) ALDH1A1LMNAHPGDTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP 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 AVPR2 2846/4885GPR27 1473/4885KDR 455/4885

“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.